{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 8.17005 7.622626 7.283355 7.036857 6.843139 6.683537 6.547815 6.429749 6.325268 6.231568 6.146629 6.068953 5.997395 5.93106 5.869239 5.811355 5.756937 5.705594 5.656996 5.610865 5.566962 5.525082 5.485046 5.4467 5.407934 5.367985 5.326779 5.284234 5.240261 5.194759 5.14762 5.098721 5.047924 4.995078 4.940009 4.882523 4.822397 4.759378 4.693172 4.62344 4.549785 4.47174 4.388748 4.300138 4.205096 4.102613 3.991424 3.869912 3.735962 3.586734 3.41829 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.17005e-10 7.622626e-10 7.283355e-10 7.036857000000001e-10 6.843139e-10 6.683537e-10 6.547815e-10 6.429749e-10 6.325268000000001e-10 6.231568000000001e-10 6.146629e-10 6.068953e-10 5.997395e-10 5.931060000000001e-10 5.869239000000001e-10 5.811355e-10 5.756937e-10 5.705594e-10 5.656996000000001e-10 5.610865000000001e-10 5.566962000000001e-10 5.525082e-10 5.485045999999999e-10 5.4467e-10 5.407934e-10 5.367985e-10 5.326779e-10 5.284234e-10 5.240261e-10 5.194759000000001e-10 5.14762e-10 5.098721000000001e-10 5.047924e-10 4.995078000000001e-10 4.940009e-10 4.882523000000001e-10 4.822397e-10 4.759378e-10 4.693172e-10 4.6234400000000006e-10 4.549785e-10 4.47174e-10 4.388748e-10 4.3001379999999997e-10 4.2050960000000006e-10 4.102613e-10 3.991424e-10 3.869912e-10 3.735962e-10 3.586734e-10 3.41829e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.576759 0.88459 1.19934 1.5707 1.97331 2.32998 2.61932 2.85598 3.05722 3.23551 3.39884 3.55159 3.69521 3.82892 3.95086 4.05911 4.15245 4.23053 4.29377 4.34303 4.3794 4.40404 4.41806 4.42252 4.41791 4.4034 4.37793 4.34029 4.28912 4.22285 4.13961 4.03716 3.9127 3.76273 3.5828 3.36538 3.09156 2.74379 2.30079 1.73502 1.00976 0.0747886 -1.13885 -2.72653 -4.82834 -7.67081 -11.6367 -17.3372 -25.7286 -38.4429 -58.7999 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.24069793249206e-20 1.41726942867006e-19 1.92155452422156e-19 2.5165388390237997e-19 3.1615911736385395e-19 3.7330395136873196e-19 4.19661330096888e-19 4.57578442317132e-19 4.89820644899748e-19 5.18385852107334e-19 5.445542030704559e-19 5.6902745115480595e-19 5.920379119723139e-19 6.13460615745528e-19 6.329975576205239e-19 6.503411196835741e-19 6.6529583638533e-19 6.778056315436019e-19 6.87937796577018e-19 6.958301186761019e-19 7.0165723509396e-19 7.05604998320136e-19 7.078512499610039e-19 7.085658207397679e-19 7.07827217311494e-19 7.055024590155601e-19 7.01421715128762e-19 6.95391122278386e-19 6.871927844422079e-19 6.7657515988869e-19 6.632386415872739e-19 6.468243419719439e-19 6.2688365158518e-19 6.02855808605082e-19 5.7402784442952e-19 5.39193320053092e-19 4.953225194609039e-19 4.39603622660286e-19 3.68627197774086e-19 2.7798085035226797e-19 1.61781387794784e-19 1.1982454740957239e-20 -1.8246388596308998e-19 -4.368382657900019e-19 -7.735853529007559e-19 -1.228999254585354e-18 -1.86440488368678e-18 -2.77772567389848e-18 -4.12217617455324e-18 -6.1592316123198595e-18 -9.42078258615366e-18 ] } }