{ "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" [ [ 0.8494568 1.09498 0.2360667 ] [ 0.557157 2.835915 1.114432 ] [ 0.135541 1.869398 2.917972 ] [ 1.620291 0.3348641 1.837353 ] [ 2.814436 1.836887 0.4161362 ] [ 2.451507 2.913738 2.050042 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.494568e-11 1.09498e-10 2.360667e-11 ] [ 5.57157e-11 2.835915e-10 1.114432e-10 ] [ 1.35541e-11 1.869398e-10 2.917972e-10 ] [ 1.620291e-10 3.348641e-11 1.837353e-10 ] [ 2.814436e-10 1.836887e-10 4.161362e-11 ] [ 2.451507e-10 2.913738e-10 2.050042e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.8335738 -7.4870341 -20.5064558 ] [ -9.0556203 18.1021865 -5.0504898 ] [ -2.3979522 -0.5468143 10.5926888 ] [ 7.0188874 -13.2037923 12.6040181 ] [ 7.9451048 -2.6540283 -8.5360578 ] [ 3.3231542 5.7894826 10.8962965 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.094859226907459e-08 -1.199555109298122e-08 -3.285496432891377e-08 ] [ -1.450870325103607e-08 2.900290023461024e-08 -8.091776747815333e-09 ] [ -3.841942984288895e-09 -8.760930945970661e-10 1.69713584865935e-08 ] [ 1.124549738895701e-08 -2.115480750324912e-08 2.019386329433307e-08 ] [ 1.272946126524124e-08 -4.252222128234742e-09 -1.367627235363344e-08 ] [ 5.324280010418962e-09 9.275773744669567e-09 1.745779164943598e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.3466906 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.337287265054744e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8469397 1.2128106 -0.200503 ] [ 0.0853089 3.025968 1.0850598 ] [ 0.6894404 1.8466768 3.1062912 ] [ 1.4510338 0.0335044 1.8207314 ] [ 3.0586428 1.4768219 0.7374457 ] [ 2.2970233 3.2900005 2.0229767 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.469397e-11 1.2128106e-10 -2.00503e-11 ] [ 8.53089e-12 3.025968e-10 1.0850598e-10 ] [ 6.894404e-11 1.8466768e-10 3.1062912e-10 ] [ 1.4510338e-10 3.35044e-12 1.8207314e-10 ] [ 3.0586428e-10 1.4768219e-10 7.374457e-11 ] [ 2.2970233e-10 3.2900005e-10 2.0229767e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.6e-06 -1.1e-06 4.58e-05 ] [ 3.4e-05 3.6e-06 -9.8e-06 ] [ -1.62e-05 2e-06 -3.09e-05 ] [ 2.82e-05 4.5e-06 -5.7e-06 ] [ -1.8e-05 -1.52e-05 -2.71e-05 ] [ -1.85e-05 6.2e-06 2.78e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.53808956864e-14 -1.7623942974e-15 7.33796898372e-14 ] [ 5.447400555599999e-14 5.767835882399999e-15 -1.57013310132e-14 ] [ -2.59552614708e-14 3.204353268e-15 -4.950725799059999e-14 ] [ 4.51813810788e-14 7.209794853e-15 -9.1324068138e-15 ] [ -2.8839179412e-14 -2.43530848368e-14 -4.34189867814e-14 ] [ -2.9640267729e-14 9.9334951308e-15 4.454051042519999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.482382 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.961204058106219e-18 } }