{ "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" [ [ 0.9312002 0.7437347 1.637203 ] [ 0.2868751 2.587784 1.486301 ] [ 2.468756 0.0419283 1.950884 ] [ 2.101698 2.93019 0.1307908 ] [ 2.374683 2.856414 2.678274 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.312002000000001e-11 7.437347e-11 1.637203e-10 ] [ 2.868751e-11 2.587784e-10 1.486301e-10 ] [ 2.468756e-10 4.19283e-12 1.950884e-10 ] [ 2.101698e-10 2.93019e-10 1.307908e-11 ] [ 2.374683e-10 2.856414e-10 2.678274e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -21.7603545 -6.1428954 -1.7037699 ] [ -6.4469658 10.0370012 -0.3950236 ] [ 22.2637594 -14.4913308 3.5295596 ] [ 3.6835014 4.5180917 -4.1923809 ] [ 2.2600594 6.0791332 2.7616147 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.486393124022007e-08 -9.842003393899865e-09 -2.729740301002754e-09 ] [ -1.032917787985717e-08 1.608104866558155e-08 -6.328975765842509e-10 ] [ 3.567047480179624e-08 -2.321767141203896e-08 5.654977872840199e-09 ] [ 5.90161982576407e-09 7.238780892370528e-09 -6.716934663468463e-09 ] [ 3.621014332299276e-09 9.739845087769093e-09 4.424594507997605e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.81977543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.313425028252267e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5959451 0.1658303 1.7305933 ] [ 0.6583044 2.4507222 1.5226023 ] [ 2.3873462 -1.2334361 2.0480051 ] [ 2.180839 3.7775328 0.0484699 ] [ 2.3407776 3.9994017 2.5337822 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.959451e-11 1.658303e-11 1.7305933e-10 ] [ 6.583044e-11 2.4507222e-10 1.5226023e-10 ] [ 2.3873462e-10 -1.2334361e-10 2.0480051e-10 ] [ 2.180839e-10 3.7775328e-10 4.846990000000001e-12 ] [ 2.3407776e-10 3.9994017e-10 2.5337822e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.6e-06 1.6e-06 8e-07 ] [ 1.96e-05 1.7e-05 -1e-07 ] [ -3.4e-06 -1.67e-05 1.2e-06 ] [ -8.7e-06 -5e-07 -1.6e-06 ] [ -1.31e-05 -1.4e-06 -4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.972189076479999e-15 2.56348259328e-15 1.28174129664e-15 ] [ 3.140266176767999e-14 2.72370025536e-14 -1.6021766208e-16 ] [ -5.44740051072e-15 -2.675634956736e-14 1.92261194496e-15 ] [ -1.393893660096e-14 -8.010883104e-16 -2.56348259328e-15 ] [ -2.098851373248e-14 -2.24304726912e-15 -6.408706483200001e-16 ] ] } "relaxed-potential-energy" { "source-value" -10.140553 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.62469569385833e-18 } }