{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 5.48427 5.116804 4.889063 4.723597 4.593561 4.486425 4.39532 4.316066 4.245932 4.183034 4.126018 4.073877 4.025842 3.981314 3.939815 3.90096 3.864431 3.829966 3.797344 3.766378 3.736907 3.708795 3.681921 3.65618 3.630157 3.603341 3.575681 3.547122 3.517604 3.487061 3.455418 3.422594 3.388496 3.353022 3.316056 3.277468 3.237107 3.194805 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.48427e-10 5.116804000000001e-10 4.889063000000001e-10 4.723597e-10 4.5935610000000005e-10 4.486425e-10 4.39532e-10 4.316066e-10 4.245932e-10 4.1830340000000004e-10 4.1260180000000006e-10 4.0738770000000007e-10 4.025842e-10 3.981314e-10 3.939815e-10 3.90096e-10 3.864431e-10 3.829966e-10 3.797344e-10 3.7663780000000003e-10 3.736907e-10 3.708795e-10 3.681921e-10 3.65618e-10 3.6301570000000003e-10 3.603341e-10 3.575681e-10 3.547122e-10 3.517604e-10 3.4870610000000003e-10 3.455418e-10 3.4225940000000003e-10 3.388496e-10 3.3530220000000005e-10 3.316056e-10 3.277468e-10 3.2371070000000003e-10 3.194805e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.882838 1.31816 1.69229 2.01414 2.28319 2.51205 2.71681 2.91624 3.11424 3.29127 3.42988 3.53379 3.61867 3.69665 3.77146 3.84161 3.90441 3.95797 4.00164 4.03562 4.06062 4.07751 4.08717 4.09025 4.08702 4.07672 4.05831 4.03041 3.9912 3.93831 3.86876 3.77885 3.66414 3.51938 3.33849 3.11456 2.83957 2.50379 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4144624152072918e-19 2.1119251518734398e-19 2.7113474959518597e-19 3.2270080456047597e-19 3.6580736689824594e-19 4.0247478134396994e-19 4.35280950101754e-19 4.67233158713616e-19 4.98956256066816e-19 5.273195890185179e-19 5.495273593423919e-19 5.66175576746286e-19 5.797748520156779e-19 5.9226862540761e-19 6.042545088065639e-19 6.15493777894074e-19 6.25555447155594e-19 6.341367052072979e-19 6.41133410567976e-19 6.465776067703079e-19 6.50583048355308e-19 6.53289124690134e-19 6.54836827318578e-19 6.5533029772185e-19 6.548127946690679e-19 6.53162552736048e-19 6.502129455528539e-19 6.457428727439939e-19 6.3946073816208e-19 6.30986825944854e-19 6.198436874553839e-19 6.054385173390899e-19 5.87059949170476e-19 5.638668402166919e-19 5.34885067084266e-19 4.990075257191039e-19 4.54949270460738e-19 4.0115138344428595e-19 ] } }