{ "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" [ [ 0.8070865 2.620947 2.881943 ] [ 2.981493 2.883992 2.450576 ] [ 2.14387 2.287305 4.61196 ] [ 1.117537 4.809867 2.516966 ] [ 2.97789 5.94727 2.412215 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.070865000000001e-11 2.620947e-10 2.881943e-10 ] [ 2.981493e-10 2.883992e-10 2.450576e-10 ] [ 2.14387e-10 2.287305e-10 4.61196e-10 ] [ 1.117537e-10 4.809867e-10 2.516966e-10 ] [ 2.97789e-10 5.947269999999999e-10 2.412215e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4076952 -0.5293457 -0.3260918 ] [ 0.6192548 1.75159 0.1795504 ] [ 0.7333611 -0.1885583 0.3892226 ] [ -0.7783461 0.1752149 -0.2742962 ] [ 0.8334253 -1.2089009 0.031615 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.255376357233957e-09 -8.481053118483738e-10 -5.224566624990011e-10 ] [ 9.92155571052343e-10 2.80635657034806e-09 2.876714555053536e-10 ] [ 1.174974018704537e-09 -3.021037024067622e-10 6.236033551447283e-10 ] [ -1.247047934585027e-09 2.807252187086466e-10 -4.394709624349907e-10 ] [ 1.33529454184444e-09 -1.93687277480157e-09 5.065281428390999e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -12.736826 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.040664500852368e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8932023 2.8129048 2.7862522 ] [ 3.2824547 3.112551 2.6746195 ] [ 2.2653476 2.2283961 4.5587995 ] [ 0.6773125 5.0577794 2.4791116 ] [ 2.9095594 5.3377498 2.3748773 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.932023e-11 2.8129048e-10 2.7862522e-10 ] [ 3.2824547e-10 3.112551e-10 2.6746195e-10 ] [ 2.2653476e-10 2.2283961e-10 4.5587995e-10 ] [ 6.773125e-11 5.0577794e-10 2.4791116e-10 ] [ 2.9095594e-10 5.337749800000001e-10 2.3748773e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.2e-05 2.11e-05 -1.68e-05 ] [ 2.93e-05 -1.39e-05 1.2e-06 ] [ 1.35e-05 -1.48e-05 2.11e-05 ] [ -6.23e-05 3.67e-05 -7.2e-06 ] [ 7.5e-06 -2.92e-05 1.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.9226119608e-14 3.38059269774e-14 -2.691656745119999e-14 ] [ 4.69437753762e-14 -2.22702552126e-14 1.9226119608e-15 ] [ 2.162938455899999e-14 -2.37122141832e-14 3.38059269774e-14 ] [ -9.981560429819998e-14 5.879988246779999e-14 -1.15356717648e-14 ] [ 1.2016324755e-14 -4.67835577128e-14 2.7237002778e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.287503 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.28911034648049e-18 } }