{ "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" [ "Po" "Po" "Po" "Po" "Po" "Po" "Po" "Po" ] } "a" { "source-value" [ 9.33975 8.713952 8.326108 8.044318 7.822866 7.640414 7.485261 7.350291 7.230852 7.123737 7.026638 6.937841 6.856037 6.780206 6.709533 6.643362 6.581154 6.522459 6.466904 6.414168 6.363979 6.316103 6.270336 6.2265 6.182183 6.136515 6.08941 6.040774 5.990505 5.938489 5.884601 5.828701 5.770632 5.71022 5.647267 5.58155 5.512816 5.440774 5.36509 5.285374 5.201175 5.111956 5.017082 4.915786 4.807136 4.689981 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.339750000000002e-10 8.713952000000001e-10 8.326108e-10 8.044318e-10 7.822866e-10 7.640414e-10 7.485261000000001e-10 7.350291e-10 7.230852e-10 7.123737e-10 7.026638e-10 6.937841e-10 6.856037e-10 6.780206e-10 6.709533000000001e-10 6.643362e-10 6.581154e-10 6.522458999999999e-10 6.466904000000001e-10 6.414168000000001e-10 6.363978999999999e-10 6.316103e-10 6.270336000000001e-10 6.2265e-10 6.182183e-10 6.136515e-10 6.08941e-10 6.040774e-10 5.990505e-10 5.938489e-10 5.884601e-10 5.828701e-10 5.770632000000001e-10 5.71022e-10 5.647267000000001e-10 5.58155e-10 5.512816e-10 5.440774e-10 5.36509e-10 5.285374e-10 5.201175e-10 5.111956e-10 5.017082000000001e-10 4.915786e-10 4.807136e-10 4.689981e-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" [ 0.950377 1.42456 1.84131 2.22327 2.58029 2.91474 3.23024 3.52682 3.8054 4.06655 4.31084 4.53876 4.74968 4.94351 5.12084 5.28137 5.42419 5.549 5.65548 5.74329 5.81205 5.86139 5.89177 5.90203 5.89045 5.85174 5.77873 5.66287 5.49217 5.25174 4.92238 4.47906 3.88884 3.10842 2.07887 0.720643 -1.0744 -3.46043 -6.65417 -10.9662 -16.8578 -25.0225 -36.5385 -53.1212 -77.602 -114.849 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.522671822891018e-19 2.28239674573104e-19 2.9501038579505397e-19 3.5620712450731796e-19 4.13408034694386e-19 4.66992832218516e-19 5.175415050212159e-19 5.650588596323879e-19 6.0969229630236e-19 6.5153313909927e-19 6.906727120912559e-19 7.271895219333839e-19 7.609826314977119e-19 7.92037621194534e-19 8.20449019445256e-19 8.461687609508579e-19 8.69051047637646e-19 8.890478142066e-19 9.061077910054319e-19 9.20176504028586e-19 9.311930705639699e-19 9.390982100761259e-19 9.43965622690218e-19 9.45609455916702e-19 9.4375413537453e-19 9.37552109624316e-19 9.25854618019482e-19 9.072917995379578e-19 8.799426443955779e-19 8.414215115843159e-19 7.88652221966892e-19 7.176245274284039e-19 6.230608581364559e-19 4.98023789265828e-19 3.3307169391235803e-19 1.154597376055662e-19 -1.7213785755696e-19 -5.54422008959262e-19 -1.0661155692663778e-18 -1.75697894037708e-18 -2.70091732606452e-18 -4.0090464824265e-18 -5.8541130941408995e-18 -8.51095454100408e-18 -1.2433211115166799e-17 -1.84008384238266e-17 ] } }