{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.9398812 2.717033 1.670565 ] [ 2.278193 2.647912 4.038221 ] [ 1.856764 5.001969 2.684043 ] [ 3.35912 1.891848 2.112837 ] [ 5.060666 2.631323 3.812603 ] [ 4.070835 4.158298 1.920429 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.398812e-11 2.717033e-10 1.670565e-10 ] [ 2.278193e-10 2.647912e-10 4.038221e-10 ] [ 1.856764e-10 5.001969e-10 2.684043e-10 ] [ 3.35912e-10 1.891848e-10 2.112837e-10 ] [ 5.060666e-10 2.631323e-10 3.812603e-10 ] [ 4.070835e-10 4.158298e-10 1.920429e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.221971 -0.3046134 -1.3029573 ] [ -2.1988136 0.5261029 2.9779552 ] [ 0.5359068 -0.0969206 0.9458687 ] [ -0.1619624 -2.6245829 -2.6027324 ] [ 2.2542927 0.3698016 1.8114198 ] [ 0.7925474 2.1302123 -1.8295542 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.957813383625614e-09 -4.880444718832955e-10 -2.087567741159728e-09 ] [ -3.522887772441422e-09 8.429097734596386e-10 4.771210238538796e-09 ] [ 8.58617352961711e-10 -1.552839206732604e-10 1.515448729971956e-09 ] [ -2.594923728665616e-10 -4.205045396375958e-09 -4.170037035834741e-09 ] [ 3.611775090136772e-09 5.924874827358144e-10 2.902214477924953e-09 ] [ 1.269800925617451e-09 3.412976372519398e-09 -2.931268989876562e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.950841 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.914735820684919e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7036192 3.0540946 1.2157858 ] [ 2.6344862 2.5251969 4.2249074 ] [ 2.0231801 4.5720487 2.9140333 ] [ 2.8824375 1.7259106 1.8624175 ] [ 5.151536 3.2953586 4.1971117 ] [ 4.1702002 3.8757736 1.8244423 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.036192e-11 3.0540946e-10 1.2157858e-10 ] [ 2.6344862e-10 2.5251969e-10 4.2249074e-10 ] [ 2.0231801e-10 4.5720487e-10 2.9140333e-10 ] [ 2.8824375e-10 1.7259106e-10 1.8624175e-10 ] [ 5.151536e-10 3.2953586e-10 4.1971117e-10 ] [ 4.1702002e-10 3.8757736e-10 1.8244423e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.7e-06 7e-06 -6e-07 ] [ -1.79e-05 -1.76e-05 7.1e-06 ] [ 2.52e-05 -8.1e-06 1.2e-06 ] [ 4.5e-06 -5.1e-06 9.6e-06 ] [ -3.1e-06 1.03e-05 3.4e-06 ] [ -5e-06 1.34e-05 -2.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.9280535458e-15 1.1215236438e-14 -9.613059803999998e-16 ] [ -2.86789617486e-14 -2.81983087584e-14 1.13754541014e-14 ] [ 4.037485117679999e-14 -1.29776307354e-14 1.9226119608e-15 ] [ 7.209794853e-15 -8.1711008334e-15 1.53808956864e-14 ] [ -4.9667475654e-15 1.65024193302e-14 5.4474005556e-15 ] [ -8.010883169999999e-15 2.14691668956e-14 -3.316505632379999e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.441499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.474000889173436e-18 } }