{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8495841 0.5267621 0.8966685 ] [ 0.1884113 0.623136 2.979456 ] [ 1.483282 2.75051 2.967402 ] [ 1.97645 1.30316 2.052926 ] [ 2.403862 2.938822 1.215589 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.495841e-11 5.267621e-11 8.966685e-11 ] [ 1.884113e-11 6.23136e-11 2.979456e-10 ] [ 1.483282e-10 2.75051e-10 2.967402e-10 ] [ 1.97645e-10 1.30316e-10 2.052926e-10 ] [ 2.403862e-10 2.938822e-10 1.215589e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.8774374 -10.6966817 -15.0650278 ] [ -25.4490253 -18.1475521 16.9228869 ] [ -1.2578122 24.4379592 16.1524135 ] [ 21.675575 -13.9681682 -5.1405665 ] [ 11.9086998 18.3744428 -12.8697061 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.101886950407771e-08 -1.71379734810754e-08 -2.413683553172042e-08 ] [ -4.077383369373483e-08 -2.907558393891763e-08 2.711345397100469e-08 ] [ -2.015237316800135e-09 3.915392721288533e-08 2.587901949240616e-08 ] [ 3.472809979351454e-08 -2.237947270982183e-08 -8.236095531823161e-09 ] [ 1.907984056088047e-08 2.943910291692953e-08 -2.061954239986727e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 7.717268 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.236442646791591e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4891193 -0.149502 0.8338996 ] [ 0.0511783 0.8957448 2.9514708 ] [ 1.281977 2.9091006 3.25402 ] [ 2.3996329 1.0537343 1.7001101 ] [ 2.6796818 3.4333124 1.372541 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.891193e-11 -1.49502e-11 8.338996e-11 ] [ 5.11783e-12 8.957448000000001e-11 2.9514708e-10 ] [ 1.281977e-10 2.9091006e-10 3.25402e-10 ] [ 2.3996329e-10 1.0537343e-10 1.7001101e-10 ] [ 2.6796818e-10 3.4333124e-10 1.372541e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.45e-05 -3.92e-05 4.85e-05 ] [ -7.33e-05 3.42e-05 -6.8e-06 ] [ -5.81e-05 2.5e-05 0.0001116 ] [ 7.8e-05 -6.39e-05 -0.000133 ] [ 3.89e-05 4.38e-05 -2.04e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.3231561193e-14 -6.280532405279998e-14 7.770556674899999e-14 ] [ -1.174395472722e-13 5.479444088279999e-14 -1.08948011112e-14 ] [ -9.308646243539999e-14 4.005441585e-14 1.788029123544e-13 ] [ 1.24969777452e-13 -1.023790869126e-13 -2.13089492322e-13 ] [ 6.232467106259999e-14 7.01753365692e-14 -3.26844033336e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.983578 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.560851519931645e-18 } }