MELTS for Excel Google App Engine Project

MELTS is a software package designed to facilitate thermodynamic modeling of phase equilibria in magmatic systems. It provides the ability to compute equilibrium phase relations for igneous systems over the temperature range 500-2000 °C and the pressure range 0-4 GPa.

This project contains source and configuration files for a Google App Engine implementation of the MELTS for Excel web services. The project is forked from xMelts, which contains the original Objective-C version that utilizes the BomBax webservice engine. That code is completely rewritten into Python, but still uses the underlying C-code MELTS engine. Cython is used to bridge Python and C.

The App maintains state by passing a session ID via browser cookies and/or XML I/O, which identifies the contact request and stores results in a datastore in Google Cloud. The store expires after 1 hour if subsequent requests from that session ID are not made. Expired session IDs are ignored. All input XML is obtained from webservice POST requests and that XML is verified against a schema. All output is delivered as XML. I/O XML schema are documented at the default service endpoint.

Cloud Deployment

The GitLab CI installs the App using credentials specified in Settings->CI/CD->Variables.

Local Development

1. Install the Google Cloud Datastore Python API and the datastore emulator

   Python API docs: https://googleapis.dev/python/datastore/latest/entities.html

   pip install google-cloud-datastore
   gcloud components install cloud-datastore-emulator
   

2. In a terminal window:

   (authentication docs: https://googleapis.dev/python/google-api-core/latest/auth.html)

   gcloud auth application-default login
   gcloud auth login
   gcloud beta emulators datastore start
   (place in background)
   (gcloud beta emulators datastore env-init)
   python main.py
   

3. To monitor local datastore emulation execute this command in a separate terminal window:

   docker run -p 8080:8080 ghcr.io/remko/dsadmin:latest --project=pelagic-script-244221 --datastore-emulator-host=host.docker.internal:8081
   

   where project points to the Google Cloud Project associated with your auth login account.

There are four endpoints available for testing.

• Test the default service endpoint using a browser at

  http://127.0.0.1:8080/
  

  which should retrieve a genrated HTML page with links to the webservice XML schema documentation.

To test endpoints that retrieve XML data, open another terminal window and execute the following curl commands:

• Get a list of oxides known to MELTS

  curl -X POST -H "Content-Type: text/xml" -i http://127.0.0.1:8080/Oxides
  

  which should return a list of oxides known to MELTS:

  HTTP/1.0 200 OK
  Content-Type: application/xml; charset=utf-8
  Content-Length: 388
  Server: Werkzeug/1.0.1 Python/3.8.8
  Date: Thu, 11 Nov 2021 17:00:16 GMT
  
  <MELTSWSoxides><Oxide>SiO2</Oxide><Oxide>TiO2</Oxide><Oxide>Al2O3</Oxide><Oxide>Fe2O3</Oxide><Oxide>Cr2O3</Oxide><Oxide>FeO</Oxide><Oxide>MnO</Oxide><Oxide>MgO</Oxide><Oxide>NiO</Oxide><Oxide>CoO</Oxide><Oxide>CaO</Oxide><Oxide>Na2O</Oxide><Oxide>K2O</Oxide><Oxide>P2O5</Oxide><Oxide>H2O</Oxide><Oxide>CO2</Oxide><Oxide>SO3</Oxide><Oxide>Cl2O-1</Oxide><Oxide>F2O-1</Oxide></MELTSWSoxides>
  

• Get a list of phases known to MELTS for the modelType specified:

  curl -X POST -H "Content-Type: text/xml" -d 'MELTS_v1.0.x' -i http://127.0.0.1:8080/Phases
  

  which should return a list of phases known to MELTS_v1.0.x (rhyolite-MELTS)

  HTTP/1.0 200 OK
  Content-Type: application/xml; charset=utf-8
  Content-Length: 931
  Server: Werkzeug/1.0.1 Python/3.8.8
  Date: Thu, 11 Nov 2021 17:04:48 GMT
  
  <MELTSWSphases><Phase>olivine</Phase><Phase>fayalite</Phase><Phase>sphene</Phase><Phase>garnet</Phase><Phase>melilite</Phase><Phase>orthopyroxene</Phase><Phase>clinopyroxene</Phase><Phase>aegirine</Phase><Phase>aenigmatite</Phase><Phase>cummingtonite</Phase><Phase>amphibole</Phase><Phase>hornblende</Phase><Phase>biotite</Phase><Phase>muscovite</Phase><Phase>feldspar</Phase><Phase>quartz</Phase><Phase>tridymite</Phase><Phase>cristobalite</Phase><Phase>nepheline</Phase><Phase>kalsilite</Phase><Phase>leucite</Phase><Phase>corundum</Phase><Phase>sillimanite</Phase><Phase>rutile</Phase><Phase>perovskite</Phase><Phase>spinel</Phase><Phase>rhm-oxide</Phase><Phase>ortho-oxide</Phase><Phase>whitlockite</Phase><Phase>apatite</Phase><Phase>water</Phase><Phase>alloy-solid</Phase><Phase>alloy-liquid</Phase><Phase>olivine</Phase><Phase>fayalite</Phase><Phase>sphene</Phase><Phase>garnet</Phase><Phase>melilite</Phase></MELTSWSphases>
  

  Similarly,

  curl -X POST -H "Content-Type: text/xml" -d 'MELTS_v1.1.x' -i http://127.0.0.1:8080/Phases
  

  generates a list of known phases for MELTS_v1.1.x,

  curl -X POST -H "Content-Type: text/xml" -d 'MELTS_v1.2.x' -i http://127.0.0.1:8080/Phases
  

  generates a list of known phases for MELTS_v1.2.x, and

  curl -X POST -H "Content-Type: text/xml" -d 'MELTS_v5.6.1' -i http://127.0.0.1:8080/Phases
  

  generates a list of known phases for MELTS_v5.6.1 (pMELTS).

• Perform a MELTS calculation for a specified input composition at fixed T and P:

  The Test endpoint specified here generates DEBUG printout to the terminal running the main app. Substitute Compute for Test to eliminate this debuging information

  curl -X POST -H "Content-Type: text/xml" -d '<MELTSinput><initialize><modelSelection>MELTS_v1.2.x</modelSelection><SiO2>77.7</SiO2><TiO2>0.08</TiO2><Al2O3>12.5</Al2O3><Fe2O3>0.1924</Fe2O3><FeO>0.4869</FeO><MgO>0.03</MgO><CaO>0.43</CaO><Na2O>3.99</Na2O><K2O>4.89</K2O><H2O>5.47</H2O></initialize><calculationMode>equilibrate</calculationMode><title>MELTS Web Service called from Excel. [created 2014Apr23] (version 1.0.3)</title><sessionID></sessionID><constraints><setTP><initialT>757</initialT><initialP>1750</initialP><fo2Path>nno</fo2Path><fo2Offset>0</fo2Offset></setTP></constraints><suppressPhase>amphibole</suppressPhase><suppressPhase>leucite</suppressPhase><fractionationMode>fractionateNone</fractionationMode></MELTSinput>' -i http://127.0.0.1:8080/Test
  

  which will generate output like (note that the XML string is long and continues on one line):

  HTTP/1.0 200 OK
  Content-Type: application/xml; charset=utf-8
  Content-Length: 30742
  Server: Werkzeug/1.0.1 Python/3.8.8
  Date: Thu, 11 Nov 2021 00:53:30 GMT
  
  <?xml version="1.0" encoding="UTF-8"?><MELTSoutput><status>Success: Equilibrate</status><sessionID>1636592010.112680.9746532025001503</sessionID><title>MELTS Web Service called from Excel. [created 2014Apr23] (version 1.0.3)</title><time>Wed Nov 10 16:53:30 2021</time><release>MELTS Web Services, MELTS v.1.2.x</release><buildDate>Nov  8 2021</buildDate><buildTime>13:34:31</buildTime><temperature>757.00000000000011369</temperature><pressure>1750</pressure><log_fO2>-14.84035917099451396</log_fO2><deltaHM>-5.1707207688200789164</deltaHM><deltaNNO>0</deltaNNO><deltaFMQ>0.40942629714119505024</deltaFMQ><deltaCOH>1.8933933165073035809</deltaCOH><deltaIW>4.7379540358200245009</deltaIW><liquid><mass>95.257878539150439678</mass><density>2.1684053000488523466</density><viscosity>5.9923403370279624269</viscosity><gibbsFreeEnergy>-1554251.1308688730933</gibbsFreeEnergy><enthalpy>-1300871.1365733931307</enthalpy><entropy>245.96417443622732435</entropy><volume>43.929923311386644968</volume><dvdt>0.0045999280015925087667</dvdt><dvdp>-0.00044198957092661072914</dvdp><d2vdt2>0</d2vdt2><d2vdtdp>7.3878782721609045846e-08</d2vdtdp><d2vdp2>5.5817298977780984587e-09</d2vdp2><heatCapacity>127.88288035137705378</heatCapacity><SiO2>74.341358532970559736</SiO2><TiO2>0.083982554752269206189</TiO2><Al2O3>10.88611714542891562</Al2O3><Fe2O3>0.21607004335321830513</Fe2O3><FeO>0.49845868783029528837</FeO><MgO>0.031493458032104112987</MgO><CaO>0.29280491120025436969</CaO><Na2O>3.1096193928343995871</Na2O><K2O>4.9738561246276438155</K2O><H2O>5.5662391489703306746</H2O></liquid><solid><name>feldspar</name><formula>K0.08Na0.85Ca0.07Al1.07Si2.93O8</formula><mass>10.345047699436058508</mass><density>2.562169247797019711</density><gibbsFreeEnergy>-168016.33122939470923</gibbsFreeEnergy><enthalpy>-145522.16198166285176</enthalpy><entropy>21.835819295958692976</entropy><volume>4.037612936120765994</volume><dvdt>0.00013041451146846285369</dvdt><dvdp>-7.459424660115498221e-06</dvdp><d2vdt2>-1.5680651273945810772e-07</d2vdt2><d2vdtdp>5.4296495658622212108e-10</d2vdtdp><d2vdp2>3.610457577397163922e-11</d2vdp2><heatCapacity>12.68528739053502008</heatCapacity><SiO2>66.543907619369150552</SiO2><Al2O3>20.590680815261102055</Al2O3><CaO>1.4604113748114235793</CaO><Na2O>9.9355997730193781337</Na2O><K2O>1.4694004175389612232</K2O><component><name>albite</name><formula>NaAlSi3O8</formula><moleFraction>0.84851623873020143307</moleFraction></component><component><name>anorthite</name><formula>CaAl2Si2O8</formula><moleFraction>0.068921078772056484918</moleFraction></component><component><name>sanidine</name><formula>KAlSi3O8</formula><moleFraction>0.082562682497742193033</moleFraction></component></solid><solid><name>fluid</name><formula>H2O1.00CO20.00</formula><mass>0.16771867227517700538</mass><density>0.41398884832569243786</density><gibbsFreeEnergy>-3667.8008291880564684</gibbsFreeEnergy><enthalpy>-2118.1634029211199959</enthalpy><entropy>1.5042832852176251102</entropy><volume>0.40512847858942740986</volume><dvdt>0.00068382079960127096011</dvdt><dvdp>-0.00017260896481820765217</dvdp><d2vdt2>8.4631419340172041256e-08</d2vdt2><d2vdtdp>-5.2005852520757845594e-07</d2vdtdp><d2vdp2>2.4927007813864158492e-07</d2vdp2><heatCapacity>0.68897982980606031767</heatCapacity><H2O>100</H2O><component><name>h2oduan</name><formula>H2O</formula><moleFraction>1</moleFraction></component><component><name>co2duan</name><formula>CO2</formula><moleFraction>0</moleFraction></component></solid><totalSolids><mass>10.51276637171123518</mass><density>2.3662791484786418472</density><gibbsFreeEnergy>-171684.13205858276342</gibbsFreeEnergy><enthalpy>-147640.32538458396448</enthalpy><entropy>23.340102581176317642</entropy><volume>4.4427414147101940145</volume><dvdt>0.00081423531106973373248</dvdt><dvdp>-0.00018006838947832315293</dvdp><d2vdt2>-7.2175093399286079694e-08</d2vdt2><d2vdtdp>-5.1951556025099213797e-07</d2vdtdp><d2vdp2>2.4930618271441561351e-07</d2vdp2><heatCapacity>13.374267220341080176</heatCapacity></totalSolids><system><mass>105.77064491086167664</mass><density>2.1865788355835369394</density><viscosity>6.1686280808412492505</viscosity><gibbsFreeEnergy>-1725935.2629274558276</gibbsFreeEnergy><enthalpy>-1448511.4619579771534</enthalpy><entropy>269.3042770174036491</entropy><volume>48.372664726096843424</volume><dvdt>43.930737546697713469</dvdt><dvdp>43.929743242997162156</dvdp><d2vdt2>43.929923239211554176</d2vdt2><d2vdtdp>43.929922791871085508</d2vdtdp><d2vdp2>43.929923560692827778</d2vdp2><heatCapacity>141.25714757171812153</heatCapacity></system><oxygen><moles>1.5456642644947953258</moles><mass>49.459401666716054535</mass><gibbsFreeEnergy>-352754.05785415176069</gibbsFreeEnergy><enthalpy>36713.579631822474767</enthalpy><entropy>378.06886131725883615</entropy><volume>132385.7755357689457</volume><dvdt>128.51116394289076084</dvdt><dvdp>-132385.7755357689457</dvdp><d2vdt2>0</d2vdt2><d2vdtdp>-128.51116394289076084</d2vdtdp><d2vdp2>264771.5510715378914</d2vdp2><heatCapacity>54.031508313935177057</heatCapacity></oxygen><potentialSolid><name>olivine</name><formula>(Ca0.00Mg1.00Fe''0.00Mn0.00Co0.00Ni0.00)2SiO4</formula><affinity>7579.1312451820931528</affinity><density>3.1440662472830926966</density><gibbsFreeEnergy>-5.4230202876351501464e+83</gibbsFreeEnergy><enthalpy>-4.7525493617563887443e+83</enthalpy><entropy>6.5084786281489260325e+79</entropy><volume>1.0363107332329559566e+79</volume><dvdt>4.2910806216235009185e+74</dvdt><dvdp>-7.9499911193997256282e+72</dvdp><d2vdt2>1.792330362851599423e+71</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>2.7319828057411014978e+67</d2vdp2><heatCapacity>4.0768209595892479772e+79</heatCapacity><SiO2>42.705932273864149806</SiO2><FeO>3.5685136644920424962e-76</FeO><MnO>-4.354352439886222311e-76</MnO><MgO>57.294067726135857299</MgO><NiO>-4.5858892230676042129e-76</NiO><CoO>-4.5995899150098373967e-76</CoO><CaO>1.7961988338484700512e-79</CaO><component><name>tephroite</name><formula>Mn2SiO4</formula><moleFraction>-1</moleFraction></component><component><name>fayalite</name><formula>Fe2SiO4</formula><moleFraction>0.8091593206278746564</moleFraction></component><component><name>co-olivine</name><formula>Co2SiO4</formula><moleFraction>-1</moleFraction></component><component><name>ni-olivine</name><formula>Ni2SiO4</formula><moleFraction>-0.99999999999999988898</moleFraction></component><component><name>monticellite</name><formula>CaMgSiO4</formula><moleFraction>0.0010435967939094979717</moleFraction></component><component><name>forsterite</name><formula>Mg2SiO4</formula><moleFraction>2.3158417847463239085e+77</moleFraction></component></potentialSolid><potentialSolid><name>fayalite</name><formula>Fe2SiO4</formula><affinity>9108.6775469835847616</affinity><density>4.3084842135945784491</density><gibbsFreeEnergy>-1712246.0826108332258</gibbsFreeEnergy><enthalpy>-1346921.4463664137293</enthalpy><entropy>354.6324673537052945</entropy><volume>47.296703410684727942</volume><dvdt>0.0015528307947007889515</dvdt><dvdp>-4.1211945089610977212e-05</dvdp><d2vdt2>3.1626099977907446008e-07</d2vdt2><d2vdtdp>-8.3935294182468328446e-09</d2vdtdp><d2vdp2>2.2276327509300604124e-10</d2vdp2><heatCapacity>188.80306934745576086</heatCapacity><SiO2>29.485305267373497884</SiO2><FeO>70.514694732626509222</FeO><component><name>fayalite</name><formula>Fe2SiO4</formula><moleFraction>1</moleFraction></component></potentialSolid><potentialSolid><name>sphene</name><formula>CaTiSiO5</formula><affinity>26897.596473163226619</affinity><density>3.4628322124270947135</density><gibbsFreeEnergy>-2810815.8750947774388</gibbsFreeEnergy><enthalpy>-2455258.4388061463833</enthalpy><entropy>345.15112972735136054</entropy><volume>56.619116368500002068</volume><dvdt>0.001402379999999999946</dvdt><dvdp>-3.2833500000000003362e-05</dvdp><d2vdt2>0</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>0</d2vdp2><heatCapacity>197.9257603423638443</heatCapacity><SiO2>30.645482945489366244</SiO2><TiO2>40.751699075549950635</TiO2><CaO>28.602817978960676015</CaO><component><name>sphene</name><formula>CaTiSiO5</formula><moleFraction>1</moleFraction></component></potentialSolid><potentialSolid><name>garnet</name><formula>(Ca0.06Fe''0.94Mg-0.0)3Al2Si3O12</formula><affinity>16038.279174851631979</affinity><density>4.2022376834114734123</density><gibbsFreeEnergy>-5073166.9336785133928</gibbsFreeEnergy><enthalpy>-4291936.595664572902</enthalpy><entropy>758.36561472983623844</entropy><volume>101.06248500401342483</volume><dvdt>0.0029410756273935611746</dvdt><dvdp>-5.5940741258933679284e-05</dvdp><d2vdt2>1.488115550226177773e-06</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>8.1455428790234609529e-11</d2vdp2><heatCapacity>432.39197148916929336</heatCapacity><SiO2>36.429620714298700079</SiO2><Al2O3>20.60666296045392798</Al2O3><FeO>40.839032348352311885</FeO><MgO>1.9734789331580166192e-308</MgO><CaO>2.1246839768950609439</CaO><component><name>almandine</name><formula>Fe3Al2Si3O12</formula><moleFraction>0.80467361730591602242</moleFraction></component><component><name>grossular</name><formula>Ca3Al2Si3O12</formula><moleFraction>0.053634015769271632668</moleFraction></component><component><name>pyrope</name><formula>Mg3Al2Si3O12</formula><moleFraction>6.9315341206167105426e-310</moleFraction></component></potentialSolid><potentialSolid><name>melilite</name><formula>Na0.00Ca2.00Al0.44Mg0.07Fe0.71Si1.78O7</formula><affinity>52142.519817109096039</affinity><density>3.117639262105719844</density><gibbsFreeEnergy>-3849564.5342419226654</gibbsFreeEnergy><enthalpy>-3283138.4230818878859</enthalpy><entropy>549.84818828329343887</entropy><volume>91.198481088691096375</volume><dvdt>0.0028836338045721853808</dvdt><dvdp>-7.3203179138586326608e-05</dvdp><d2vdt2>9.4250650739754747119e-07</d2vdt2><d2vdtdp>2.2694263156378066386e-317</d2vdtdp><d2vdp2>5.4541544011991649602e-11</d2vdp2><heatCapacity>295.13232099760455185</heatCapacity><SiO2>36.199620407333121364</SiO2><Al2O3>7.5828619161485102396</Al2O3><FeO>17.35127948136941356</FeO><MgO>0.90886621358362984502</MgO><CaO>37.957371981565316332</CaO><Na2O>1.5109759084320126578e-308</Na2O><component><name>akermanite</name><formula>Ca2MgSi2O7</formula><moleFraction>0.064115194807769004814</moleFraction></component><component><name>gehlenite</name><formula>Ca2Al2SiO7</formula><moleFraction>0.21145177544057200403</moleFraction></component><component><name>iron-akermanite</name><formula>Ca2FeSi2O7</formula><moleFraction>0.68665717209745003036</moleFraction></component><component><name>soda-melilite</name><formula>Na2Si3O7</formula><moleFraction>6.9314941775022545732e-310</moleFraction></component></potentialSolid><potentialSolid><name>orthopyroxene</name><formula>opx Na0.00Ca0.97Fe''-0.0Mg0.66Fe'''0.39Ti0.02Al0.43Si1.57O6</formula><affinity>7136.3917030187440105</affinity><density>3.3537909899844033923</density><gibbsFreeEnergy>-8444254.421733180061</gibbsFreeEnergy><enthalpy>-7321416.976698409766</enthalpy><entropy>1089.9747076006110547</entropy><volume>171.41513309363276107</volume><dvdt>0.0059357575037292057557</dvdt><dvdp>-0.00014373637332567071843</dvdp><d2vdt2>2.3387857782379923605e-06</d2vdt2><d2vdtdp>8.6315104769863390569e-25</d2vdtdp><d2vdp2>6.2959636348342847057e-10</d2vdp2><heatCapacity>636.97121670997307774</heatCapacity><SiO2>41.49330801895345644</SiO2><TiO2>0.72314557458329731254</TiO2><Al2O3>9.5849997496861085722</Al2O3><Fe2O3>13.729902497216519563</Fe2O3><FeO>-1.010696726001766077</FeO><MgO>11.611500941950932742</MgO><CaO>23.86783994361145389</CaO><component><name>diopside</name><formula>CaMgSi2O6</formula><moleFraction>1.4409120130395085546</moleFraction></component><component><name>clinoenstatite</name><formula>Mg2Si2O6</formula><moleFraction>0.081643765544061969175</moleFraction></component><component><name>hedenbergite</name><formula>CaFeSi2O6</formula><moleFraction>-0.080872524633844103392</moleFraction></component><component><name>alumino-buffonite</name><formula>CaTi0.5Mg0.5AlSiO6</formula><moleFraction>0.098189869630887313678</moleFraction></component><component><name>buffonite</name><formula>CaTi0.5Mg0.5FeSiO6</formula><moleFraction>0.0058741568265152574457</moleFraction></component><component><name>essenite</name><formula>CaFeAlSiO6</formula><moleFraction>0.98267643094134193849</moleFraction></component><component><name>jadeite</name><formula>NaAlSi2O6</formula><moleFraction>0</moleFraction></component></potentialSolid><potentialSolid><name>clinopyroxene</name><formula>cpx Na0.00Ca0.97Fe''-0.0Mg0.66Fe'''0.38Ti0.02Al0.41Si1.58O6</formula><affinity>7488.0011667207727442</affinity><density>3.3551056739978859511</density><gibbsFreeEnergy>-8678083.5045379046351</gibbsFreeEnergy><enthalpy>-7528479.5876581231132</enthalpy><entropy>1115.9577895255838484</entropy><volume>175.58390166526507414</volume><dvdt>0.0061187509852519503945</dvdt><dvdp>-0.00014765099067143221492</dvdp><d2vdt2>2.4144231395628537059e-06</d2vdt2><d2vdtdp>2.8680772617920914301e-27</d2vdtdp><d2vdp2>6.4541507202953518601e-10</d2vdp2><heatCapacity>652.74240889317457004</heatCapacity><SiO2>41.873317922865282981</SiO2><TiO2>0.79520882240876233915</TiO2><Al2O3>9.2312937553921852185</Al2O3><Fe2O3>13.208277426086272754</Fe2O3><FeO>-0.81430307939688251206</FeO><MgO>11.675634775865828985</MgO><CaO>24.03057037677853458</CaO><component><name>diopside</name><formula>CaMgSi2O6</formula><moleFraction>1.5118899057052779256</moleFraction></component><component><name>clinoenstatite</name><formula>Mg2Si2O6</formula><moleFraction>0.068014089492988899499</moleFraction></component><component><name>hedenbergite</name><formula>CaFeSi2O6</formula><moleFraction>-0.066768552949379722516</moleFraction></component><component><name>alumino-buffonite</name><formula>CaTi0.5Mg0.5AlSiO6</formula><moleFraction>0.10473713136846775351</moleFraction></component><component><name>buffonite</name><formula>CaTi0.5Mg0.5FeSiO6</formula><moleFraction>0.012526091829012726137</moleFraction></component><component><name>essenite</name><formula>CaFeAlSiO6</formula><moleFraction>0.96197733956445097281</moleFraction></component><component><name>jadeite</name><formula>NaAlSi2O6</formula><moleFraction>0</moleFraction></component></potentialSolid><potentialSolid><name>aegirine</name><formula>NaFeSi2O6</formula><affinity>142324.7343922778964</affinity><density>0.36096093566885945059</density><gibbsFreeEnergy>-2754290.7588493428193</gibbsFreeEnergy><enthalpy>-2299451.5739982943051</enthalpy><entropy>441.52714153380435391</entropy><volume>639.97000000000002728</volume><dvdt>0</dvdt><dvdp>0</dvdp><d2vdt2>0</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>0</d2vdp2><heatCapacity>250.70810879854303721</heatCapacity><SiO2>52.020099896901264458</SiO2><Fe2O3>34.564787293662405432</Fe2O3><Na2O>13.415112809436321228</Na2O><component><name>aegirine</name><formula>NaFeSi2O6</formula><moleFraction>1</moleFraction></component></potentialSolid><potentialSolid><name>aenigmatite</name><formula>Na2Fe5TiSi6O20</formula><affinity>53356.245067204814404</affinity><density>3.7699873985980936197</density><gibbsFreeEnergy>-9592507.641901794821</gibbsFreeEnergy><enthalpy>-7852964.1758291339502</enthalpy><entropy>1688.6312343568038159</entropy><volume>228.54600000000002069</volume><dvdt>0</dvdt><dvdp>0</dvdp><d2vdt2>0</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>0</d2vdp2><heatCapacity>881.91689549011994131</heatCapacity><SiO2>41.840679893032586278</SiO2><TiO2>9.273138225896678577</TiO2><FeO>41.692841333846637042</FeO><Na2O>7.1933405472240972145</Na2O><component><name>aenigmatite</name><formula>Na2Fe5TiSi6O20</formula><moleFraction>1</moleFraction></component></potentialSolid><potentialSolid><name>cummingtonite</name><formula>(Fe''0.00Mg1.00)7Si8O22(OH)2</formula><affinity>38578.273130620247684</affinity><density>2.901821284928485678</density><gibbsFreeEnergy>-4461510.1099180169404</gibbsFreeEnergy><enthalpy>-3896415.5357236228883</enthalpy><entropy>548.55562218550130638</entropy><volume>92.200056057828319922</volume><dvdt>0.0033663243728671733007</dvdt><dvdp>-0.00010279498751643591204</dvdp><d2vdt2>1.1348560227039594026e-06</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>0</d2vdp2><heatCapacity>339.96852024327318986</heatCapacity><SiO2>61.560174401181079418</SiO2><MgO>36.132611289356717066</MgO><H2O>2.307214309462201296</H2O><component><name>cummingtonite</name><formula>Mg7Si8O22(OH)2</formula><moleFraction>0.34264996808511383186</moleFraction></component><component><name>grunerite</name><formula>Fe7Si8O22(OH)2</formula><moleFraction>0</moleFraction></component></potentialSolid><potentialSolid><name>hornblende</name><formula>NaCa2Mg3.99Fe2+0.01Al1.00Fe3+0.00Al2Si6O22(OH)2</formula><affinity>59810.870715129334712</affinity><density>2.9949782704662619714</density><gibbsFreeEnergy>nan</gibbsFreeEnergy><enthalpy>nan</enthalpy><entropy>nan</entropy><volume>215.95239792378922061</volume><dvdt>0.0082029280786800311959</dvdt><dvdp>-0.00029193688854214688757</dvdp><d2vdt2>4.1611830116072696432e-06</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>1.4729888815518829277e-09</d2vdp2><heatCapacity>799.82146882916595132</heatCapacity><SiO2>43.116702924290990495</SiO2><Al2O3>18.291942402343185137</Al2O3><FeO>0.078337188503887766888</FeO><MgO>19.237772930577648367</MgO><CaO>13.414257579059707837</CaO><Na2O>3.7063585988664509152</Na2O><H2O>2.1546283763581262072</H2O><component><name>pargasite</name><formula>NaCa2Mg4AlAl2Si6O22(OH)2</formula><moleFraction>0.77178094048825129914</moleFraction></component><component><name>ferropargasite</name><formula>NaCa2Fe4AlAl2Si6O22(OH)2</formula><moleFraction>0.001763009628623676394</moleFraction></component><component><name>magnesiohastingsite</name><formula>NaCa2Mg4FeAl2Si6O22(OH)2</formula><moleFraction>0</moleFraction></component></potentialSolid><potentialSolid><name>biotite</name><formula>K(Fe''1.00Mg0.00)3AlSi3O10(OH)2</formula><affinity>20131.375346434655512</affinity><density>3.249930277627445907</density><gibbsFreeEnergy>-5329842.5235565872863</gibbsFreeEnergy><enthalpy>-4364056.2455128310248</enthalpy><entropy>937.52004857909651037</entropy><volume>144.78593588508152834</volume><dvdt>0.0048789444005018682907</dvdt><dvdp>-0.00024035140534224162714</dvdp><d2vdt2>0</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>0</d2vdp2><heatCapacity>521.51433507044623639</heatCapacity><SiO2>35.213234633935783791</SiO2><Al2O3>9.9593029466278135686</Al2O3><FeO>42.106575940858064655</FeO><K2O>9.2015341431802433192</K2O><H2O>3.5193523353980986634</H2O><component><name>annite</name><formula>KFe3Si3AlO10(OH)2</formula><moleFraction>0.91922977149440376898</moleFraction></component><component><name>phlogopite</name><formula>KMg3Si3AlO10(OH)2</formula><moleFraction>0</moleFraction></component></potentialSolid><potentialSolid><name>muscovite</name><formula>KAl2Si3AlO10(OH)2</formula><affinity>24291.121584265143611</affinity><density>2.7678601810788245885</density><gibbsFreeEnergy>-6476444.6749562164769</gibbsFreeEnergy><enthalpy>-5620377.7302846498787</enthalpy><entropy>831.01193483625377212</entropy><volume>143.90601184368736654</volume><dvdt>0.0047229484900000000269</dvdt><dvdp>-0.0002397573717982999942</dvdp><d2vdt2>0</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>1.2100732999999999556e-09</d2vdp2><heatCapacity>515.86818217857239688</heatCapacity><SiO2>45.2542295265627601</SiO2><Al2O3>38.397544516139241466</Al2O3><K2O>11.825336196484517615</K2O><H2O>4.5228897608134719377</H2O><component><name>muscovite</name><formula>KAl2Si3AlO10(OH)2</formula><moleFraction>1</moleFraction></component></potentialSolid><potentialSolid><name>quartz</name><formula>SiO2</formula><affinity>289.49326263437978923</affinity><density>2.5406983011149990581</density><gibbsFreeEnergy>-982126.45394465106074</gibbsFreeEnergy><enthalpy>-860256.27974386734422</enthalpy><entropy>118.30332883636721419</entropy><volume>23.648734670162010474</volume><dvdt>0</dvdt><dvdp>-2.928184692738000633e-05</dvdp><d2vdt2>0</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>3.3592380000000001099e-11</d2vdp2><heatCapacity>69.630602356070241399</heatCapacity><SiO2>100</SiO2><component><name>quartz</name><formula>SiO2</formula><moleFraction>1</moleFraction></component></potentialSolid><potentialSolid><name>tridymite</name><formula>SiO2</formula><affinity>2435.6401096405461431</affinity><density>2.1903286293800392492</density><gibbsFreeEnergy>-979980.30709764489438</gibbsFreeEnergy><enthalpy>-856358.57167525147088</enthalpy><entropy>120.00362609561071281</entropy><volume>27.4316370585022824</volume><dvdt>0.00013216972999999999808</dvdt><dvdp>-1.9896210128899998425e-05</dvdp><d2vdt2>0</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>2.044539000000000047e-10</d2vdp2><heatCapacity>70.632106188108579659</heatCapacity><SiO2>100</SiO2><component><name>tridymite</name><formula>SiO2</formula><moleFraction>1</moleFraction></component></potentialSolid><potentialSolid><name>cristobalite</name><formula>SiO2</formula><affinity>2500.149465067894198</affinity><density>2.1999498962482526565</density><gibbsFreeEnergy>-979915.79774221754633</gibbsFreeEnergy><enthalpy>-856003.37577358039562</enthalpy><entropy>120.28580494941233781</entropy><volume>27.311667462275607932</volume><dvdt>8.7059699999999989113e-05</dvdt><dvdp>-2.9501432960999999751e-05</dvdp><d2vdt2>0</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>3.0221100000000004341e-10</d2vdp2><heatCapacity>69.77804558183012773</heatCapacity><SiO2>100</SiO2><component><name>cristobalite</name><formula>SiO2</formula><moleFraction>1</moleFraction></component></potentialSolid><potentialSolid><name>nepheline</name><formula>neph Na0.04K3.95Ca0.00[]0.01Al3.99Si4.01O16</formula><affinity>40329.650202323282429</affinity><density>2.5313002197959697526</density><gibbsFreeEnergy>-9174427.767888866365</gibbsFreeEnergy><enthalpy>-7843581.2699366491288</enthalpy><entropy>1291.8958384237403152</entropy><volume>247.18467898345653566</volume><dvdt>0.015108321449141917311</dvdt><dvdp>-0.00049562929616468731891</dvdp><d2vdt2>9.9571369194453518349e-06</d2vdt2><d2vdtdp>9.1016097281298821564e-09</d2vdtdp><d2vdp2>2.4078384928296578256e-09</d2vdp2><heatCapacity>693.62072918052888326</heatCapacity><SiO2>38.139457468806597262</SiO2><Al2O3>32.208019571979143336</Al2O3><Na2O>0.20175980762641002042</Na2O><K2O>29.450763151587860733</K2O><component><name>na-nepheline</name><formula>Na4Al4Si4O16</formula><moleFraction>0.0031540762550949863821</moleFraction></component><component><name>k-nepheline</name><formula>K4Al4Si4O16</formula><moleFraction>0.97805929628881349558</moleFraction></component><component><name>vc-nepheline</name><formula>Na3Al3Si5O16</formula><moleFraction>0.0093734608432116308524</moleFraction></component><component><name>ca-nepheline</name><formula>CaNa2Al4Si4O16</formula><moleFraction>0</moleFraction></component></potentialSolid><potentialSolid><name>corundum</name><formula>Al2O3</formula><affinity>11528.370642236666754</affinity><density>3.917505814381032625</density><gibbsFreeEnergy>-1778689.214159975294</gibbsFreeEnergy><enthalpy>-1589465.0822674646042</enthalpy><entropy>183.68599902199747476</entropy><volume>26.027090917313650209</volume><dvdt>0.00072261330816000010971</dvdt><dvdp>-9.814745434999999987e-06</dvdp><d2vdt2>2.4137287999999996192e-07</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>1.9184999999999999536e-11</d2vdp2><heatCapacity>125.90192367180661392</heatCapacity><Al2O3>100</Al2O3><component><name>corundum</name><formula>Al2O3</formula><moleFraction>1</moleFraction></component></potentialSolid><potentialSolid><name>sillimanite</name><formula>Al2SiO5</formula><affinity>11433.606580409221351</affinity><density>3.224513190753354408</density><gibbsFreeEnergy>-2761199.9254291681573</gibbsFreeEnergy><enthalpy>-2451262.9769789176062</enthalpy><entropy>300.86584327549422824</entropy><volume>50.254277285850001533</volume><dvdt>0.00066926672999999996857</dvdt><dvdp>-3.7521989999999996821e-05</dvdp><d2vdt2>0</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>0</d2vdp2><heatCapacity>195.35519985755365724</heatCapacity><SiO2>37.07864170068702947</SiO2><Al2O3>62.92135829931297053</Al2O3><component><name>sillimanite</name><formula>Al2SiO5</formula><moleFraction>1</moleFraction></component></potentialSolid><potentialSolid><name>rutile</name><formula>TiO2</formula><affinity>10858.690792850218713</affinity><density>4.1668434996680909777</density><gibbsFreeEnergy>-1028982.6365359509364</gibbsFreeEnergy><enthalpy>-890460.8276075880276</enthalpy><entropy>134.46761047261361455</entropy><volume>19.174898218847026499</volume><dvdt>0.00052643073643199994865</dvdt><dvdp>-8.5058339017600011542e-06</dvdp><d2vdt2>5.7999475999999994981e-08</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>2.1981759999999999425e-11</d2vdp2><heatCapacity>75.024586070281429784</heatCapacity><TiO2>100</TiO2><component><name>rutile</name><formula>TiO2</formula><moleFraction>1</moleFraction></component></potentialSolid><potentialSolid><name>perovskite</name><formula>CaTiO3</formula><affinity>41076.980730806477368</affinity><density>4.0438410753583537982</density><gibbsFreeEnergy>-1814220.5436300120782</gibbsFreeEnergy><enthalpy>-1565233.1030539311469</enthalpy><entropy>241.70018014471773427</entropy><volume>33.625999999999997669</volume><dvdt>0</dvdt><dvdp>0</dvdp><d2vdt2>0</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>0</d2vdp2><heatCapacity>130.73898692558270795</heatCapacity><TiO2>58.758536294788399346</TiO2><CaO>41.24146370521160776</CaO><component><name>perovskite</name><formula>CaTiO3</formula><moleFraction>1</moleFraction></component></potentialSolid><potentialSolid><name>spinel</name><formula>Fe''0.21Mg0.79Fe'''0.38Al1.58Cr0.05Ti0.00O4</formula><affinity>2347.6561662182575674</affinity><density>3.8737869915323317471</density><gibbsFreeEnergy>-2163148.8047988335602</gibbsFreeEnergy><enthalpy>-1852542.7239671209827</enthalpy><entropy>301.51539176985164659</entropy><volume>40.162852667387987537</volume><dvdt>0.0012915154867950970948</dvdt><dvdp>-1.9486824187344321536e-05</dvdp><d2vdt2>5.3087791809156936149e-07</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>2.8419954524585720719e-11</d2vdp2><heatCapacity>178.55905430503142384</heatCapacity><Al2O3>49.918923097558817403</Al2O3><Fe2O3>18.710073636287383181</Fe2O3><Cr2O3>2.1869467013353580676</Cr2O3><FeO>9.4515439473498545908</FeO><MgO>19.732512617468596972</MgO><component><name>chromite</name><formula>FeCr2O4</formula><moleFraction>0.022386329970697019243</moleFraction></component><component><name>hercynite</name><formula>FeAl2O4</formula><moleFraction>0</moleFraction></component><component><name>magnetite</name><formula>Fe3O4</formula><moleFraction>0.18228548212846235055</moleFraction></component><component><name>spinel</name><formula>MgAl2O4</formula><moleFraction>0.76171098248213542359</moleFraction></component><component><name>ulvospinel</name><formula>Fe2TiO4</formula><moleFraction>0</moleFraction></component></potentialSolid><potentialSolid><name>rhm-oxide</name><formula>Mn0.06Fe''0.00Mg0.90Fe'''0.09Al0.00Ti0.96O3</formula><affinity>4779.437786784535092</affinity><density>3.9531443012033413709</density><gibbsFreeEnergy>-1427171.687593522016</gibbsFreeEnergy><enthalpy>-1226014.4649961174</enthalpy><entropy>195.26983701150760453</entropy><volume>26.772965101862524762</volume><dvdt>0.00080284292459480426519</dvdt><dvdp>-1.5036698989987208429e-05</dvdp><d2vdt2>1.4305724684225811744e-07</d2vdt2><d2vdtdp>1.2035157788272214824e-10</d2vdtdp><d2vdp2>6.2058235674926258398e-11</d2vdp2><heatCapacity>110.15712468715067018</heatCapacity><TiO2>61.757413350638323379</TiO2><Fe2O3>5.6886081143930500303</Fe2O3><MnO>3.2440347760839176594</MnO><MgO>29.309943758884710263</MgO><component><name>geikielite</name><formula>MgTiO3</formula><moleFraction>0.76966486984057747023</moleFraction></component><component><name>hematite</name><formula>Fe2O3</formula><moleFraction>0.037701745025539259992</moleFraction></component><component><name>ilmenite</name><formula>FeTiO3</formula><moleFraction>0</moleFraction></component><component><name>pyrophanite</name><formula>MnTiO3</formula><moleFraction>0.048400447169548478643</moleFraction></component><component><name>corundum</name><formula>Al2O3</formula><moleFraction>0</moleFraction></component></potentialSolid><potentialSolid><name>ortho-oxide</name><formula>Fe''0.01Mg0.00Fe'''1.98Ti1.01O5</formula><affinity>25368.11141322444746</affinity><density>4.3613531629354351793</density><gibbsFreeEnergy>-1419952.5353238880634</gibbsFreeEnergy><enthalpy>-1131667.1352471299469</enthalpy><entropy>279.84798337791397671</entropy><volume>38.755880918457030759</volume><dvdt>0</dvdt><dvdp>0</dvdp><d2vdt2>0</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>0</d2vdp2><heatCapacity>150.63605951048592146</heatCapacity><TiO2>33.66823460854457295</TiO2><Fe2O3>66.053047130131687936</Fe2O3><FeO>0.27871826132373916929</FeO><component><name>pseudobrookite</name><formula>Fe2TiO5</formula><moleFraction>0.69914623176827928042</moleFraction></component><component><name>ferropseudobrookite</name><formula>FeTi2O5</formula><moleFraction>0.0065572128372323569903</moleFraction></component><component><name>karrooite</name><formula>MgTi2O5</formula><moleFraction>0</moleFraction></component></potentialSolid><potentialSolid><name>alloy-solid</name><formula>solid Fe0.00Ni1.00</formula><affinity>66140.73553546750918</affinity><density>8.5923398323585633563</density><gibbsFreeEnergy>-7.2225944386702790971e-11</gibbsFreeEnergy><enthalpy>-5.5828675016300621792e-12</enthalpy><entropy>6.4692595141554847787e-14</entropy><volume>4.7361723189178825793e-309</volume><dvdt>2.501327756619959267e-313</dvdt><dvdp>-2.4874057070678645759e-315</dvdp><d2vdt2>0</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>0</d2vdp2><heatCapacity>2.1619932685798888403e-308</heatCapacity><Fe2O3>-272.00170328735214298</Fe2O3><FeO>244.7501277465576095</FeO><NiO>127.25157554079451927</NiO><component><name>Fe-metal</name><formula>Fe</formula><moleFraction>0</moleFraction></component><component><name>Ni-metal</name><formula>Ni</formula><moleFraction>6.9314941353691268009e-310</moleFraction></component></potentialSolid><potentialSolid><name>alloy-liquid</name><formula>liquid Fe0.00Ni1.00</formula><affinity>70745.11709904205054</affinity><density>8.5549210757165887742</density><gibbsFreeEnergy>-7.2889374619674995611e-11</gibbsFreeEnergy><enthalpy>-6.2552185653430569801e-12</enthalpy><entropy>6.4683935401962761771e-14</entropy><volume>4.756915518205023887e-309</volume><dvdt>5.647404646056447732e-313</dvdt><dvdp>-3.8482860110128361385e-315</dvdp><d2vdt2>2.8173302949063738187e-317</d2vdt2><d2vdtdp>0</d2vdtdp><d2vdp2>1.1363509854348670516e-320</d2vdp2><heatCapacity>2.6966216339174516907e-308</heatCapacity><Fe2O3>-272.00170328735208614</Fe2O3><FeO>244.75012774655758108</FeO><NiO>127.25157554079449085</NiO><component><name>Fe-liquid</name><formula>Fe</formula><moleFraction>0</moleFraction></component><component><name>Ni-liquid</name><formula>Ni</formula><moleFraction>6.9315341206090031185e-310</moleFraction></component></potentialSolid></MELTSoutput>