{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "As" "As" ] } "a" { "source-value" [ 4.94179 4.610672 4.405459 4.256361 4.139187 4.04265 3.960556 3.889142 3.825946 3.769269 3.717893 3.670909 3.627626 3.587503 3.550109 3.515097 3.482182 3.451126 3.421731 3.393827 3.367272 3.34194 3.317724 3.29453 3.27874 3.262121 3.244582 3.226016 3.206293 3.185261 3.162733 3.13848 3.112215 3.083575 3.052087 3.017121 2.977813 2.932928 2.88062 2.817935 2.739713 2.63562 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.94179e-10 4.6106720000000003e-10 4.405459e-10 4.2563610000000004e-10 4.139187e-10 4.04265e-10 3.960556e-10 3.889142e-10 3.8259460000000004e-10 3.769269e-10 3.717893e-10 3.670909e-10 3.627626e-10 3.587503e-10 3.550109e-10 3.515097e-10 3.482182e-10 3.451126e-10 3.4217309999999997e-10 3.393827e-10 3.3672719999999997e-10 3.3419400000000005e-10 3.317724e-10 3.29453e-10 3.27874e-10 3.262121e-10 3.244582e-10 3.226016e-10 3.206293e-10 3.1852610000000003e-10 3.162733e-10 3.13848e-10 3.112215e-10 3.0835750000000004e-10 3.052087e-10 3.017121e-10 2.977813e-10 2.932928e-10 2.88062e-10 2.817935e-10 2.7397130000000004e-10 2.63562e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0.0124545 0.420008 0.914694 1.30375 1.5847 1.77757 1.90198 1.97858 2.04379 2.10304 2.15862 2.2103 2.25708 2.29811 2.33282 2.36088 2.3822 2.39694 2.40542 2.40813 2.40687 2.40283 2.3956 2.38474 2.36979 2.34991 2.32292 2.28666 2.23822 2.17351 2.08662 1.96866 1.80579 1.57534 1.2377 0.717508 -0.146732 -1.77019 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 1.9954308888153e-21 6.72927003693072e-20 1.4655013540599958e-19 2.0888377865774998e-19 2.5389693118997996e-19 2.84798111929938e-19 3.0473079143353196e-19 3.17003464449972e-19 3.2745125828028596e-19 3.3694415483673598e-19 3.45849052568508e-19 3.5412910141302e-19 3.61624083706872e-19 3.6819781443617397e-19 3.7375896953278795e-19 3.7825467716779194e-19 3.8167051775148e-19 3.8403212610999595e-19 3.85390771895628e-19 3.8582496176344197e-19 3.85623087507558e-19 3.8497580814742195e-19 3.8381743444103997e-19 3.8207747061651596e-19 3.79682216548686e-19 3.7649708940029396e-19 3.7217281466512795e-19 3.66363322190244e-19 3.58602378575148e-19 3.4823469357653394e-19 3.34313380803708e-19 3.15414105229044e-19 2.8931945439108597e-19 2.5239729386055597e-19 1.9830140199018e-19 1.1495745523080719e-19 -2.3509058186008798e-20 -2.8361570557404597e-19 ] } }