{ "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 8.02421 7.486558 7.153342 6.911243 6.720983 6.56423 6.430931 6.314972 6.212357 6.120329 6.036906 5.960616 5.890335 5.825185 5.764467 5.707616 5.65417 5.603743 5.556012 5.510704 5.467585 5.426453 5.387132 5.34947 5.311396 5.27216 5.23169 5.189904 5.146716 5.102027 5.05573 5.007703 4.957814 4.905911 4.851825 4.795365 4.736313 4.674419 4.609394 4.540908 4.468568 4.391916 4.310406 4.223378 4.130032 4.029379 3.920175 3.800832 3.669273 3.52271 3.357273 3.167373 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.02421e-10 7.486558e-10 7.153342e-10 6.911243e-10 6.720983000000001e-10 6.56423e-10 6.430931000000001e-10 6.314972e-10 6.212357e-10 6.120329e-10 6.036906e-10 5.960616e-10 5.890335000000001e-10 5.825185e-10 5.764467e-10 5.707616e-10 5.65417e-10 5.603743e-10 5.556012e-10 5.510704e-10 5.467585e-10 5.426453e-10 5.387132000000001e-10 5.349470000000001e-10 5.311396000000001e-10 5.27216e-10 5.231690000000001e-10 5.189904e-10 5.146715999999999e-10 5.102027e-10 5.05573e-10 5.007703e-10 4.957814e-10 4.905911e-10 4.851825e-10 4.795365e-10 4.736313e-10 4.674419000000001e-10 4.6093940000000003e-10 4.5409080000000003e-10 4.4685680000000006e-10 4.3919160000000006e-10 4.310406000000001e-10 4.2233780000000003e-10 4.130032e-10 4.0293789999999996e-10 3.920175e-10 3.8008320000000003e-10 3.669273e-10 3.52271e-10 3.357273e-10 3.167373e-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" [ 0.283662 0.372139 0.536367 0.714256 0.896867 1.07391 1.23703 1.41042 1.59244 1.76617 1.9292 2.08145 2.22241 2.35114 2.46676 2.56874 2.65695 2.7316 2.79317 2.84226 2.87959 2.90591 2.92197 2.92843 2.92525 2.91532 2.89569 2.86388 2.8177 2.75509 2.67394 2.57189 2.4462 2.29306 2.11135 1.90286 1.65453 1.35648 0.997479 0.562485 0.0315931 -0.620124 -1.42086 -2.39434 -3.61862 -5.17161 -7.20297 -9.93958 -13.7477 -19.3485 -28.3154 -63.419 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.54476628353708e-20 5.962324104001259e-20 8.59354674648678e-20 1.144364273894304e-19 1.436939351205678e-19 1.7205935090189397e-19 1.98194056155702e-19 2.25974196812628e-19 2.5513701590469597e-19 2.8297163056717797e-19 3.0909191623128e-19 3.3348505548392997e-19 3.56069337316794e-19 3.7669415712627598e-19 3.9521852336858394e-19 4.11557520682116e-19 4.2569032077063e-19 4.3765056934343995e-19 4.47515170878978e-19 4.553802559752839e-19 4.61361181350006e-19 4.65578110250694e-19 4.68151205924898e-19 4.69186212030462e-19 4.6867671986085e-19 4.67085758463288e-19 4.63940685730746e-19 4.588441618579919e-19 4.5144531016218e-19 4.41414082256706e-19 4.28412418871796e-19 4.1206220632182593e-19 3.9192444820908e-19 3.67388715236004e-19 3.3827556361958997e-19 3.0487178297732397e-19 2.65084930625202e-19 2.1733205604883196e-19 1.5981375467056858e-19 9.0120032397549e-20 5.06177266156254e-21 -9.93548182982616e-20 -2.2764686921852397e-19 -3.83615560185156e-19 -5.797668411325079e-19 -8.28583270216074e-19 -1.154043022940298e-18 -1.5924962827773718e-18 -2.20262437112418e-18 -3.0999714602949e-18 -4.53662722623636e-18 -1.01608439951646e-17 ] } }