{ "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" [ [ 1.222424 2.904477 0.9358623 ] [ 1.494107 1.000567 2.599919 ] [ 2.753047 4.765039 1.902757 ] [ 2.502796 3.18307 3.733295 ] [ 3.53967 2.110225 1.931082 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.222424e-10 2.904477e-10 9.358623e-11 ] [ 1.494107e-10 1.000567e-10 2.599919e-10 ] [ 2.753047e-10 4.765039e-10 1.902757e-10 ] [ 2.502796e-10 3.18307e-10 3.733295e-10 ] [ 3.53967e-10 2.110225e-10 1.931082e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9998821 0.2982897 0.9359647 ] [ -0.2002302 0.7950498 -0.2524659 ] [ -0.8457586 -1.4152504 -0.075641 ] [ -0.3052111 0.3396403 0.0599865 ] [ 0.3513178 -0.0177293 -0.6678444 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.601987724176408e-09 4.779127835654457e-10 1.499580760234086e-09 ] [ -3.208041452181082e-10 1.273810201931716e-09 -4.044949625292307e-10 ] [ -1.355054655760539e-09 -2.267481103457848e-09 -1.211902417739328e-10 ] [ -4.890020888286509e-10 5.441637481414983e-10 9.61089678636192e-11 ] [ 5.628731656308903e-10 -2.840546996314944e-11 -1.070004684012204e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.8520142 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.258031357742962e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9902111 3.0238244 1.0666148 ] [ 1.7614525 1.3690885 2.55055 ] [ 2.8433559 4.2162661 1.8906189 ] [ 2.0879029 3.2646712 3.9052623 ] [ 3.8291216 2.0895277 1.6898694 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.902111e-11 3.0238244e-10 1.0666148e-10 ] [ 1.7614525e-10 1.3690885e-10 2.55055e-10 ] [ 2.8433559e-10 4.216266100000001e-10 1.8906189e-10 ] [ 2.0879029e-10 3.2646712e-10 3.9052623e-10 ] [ 3.8291216e-10 2.0895277e-10 1.6898694e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.21e-05 1.49e-05 1.73e-05 ] [ 3.28e-05 4.34e-05 1.4e-06 ] [ -1.64e-05 -4.14e-05 -3e-06 ] [ -1.21e-05 -1.7e-05 -2.27e-05 ] [ -1.63e-05 2e-07 7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.938633711168e-14 2.387243164992e-14 2.771765553984e-14 ] [ 5.255139316223999e-14 6.953446534272e-14 2.24304726912e-15 ] [ -2.627569658112e-14 -6.633011210111999e-14 -4.8065298624e-15 ] [ -1.938633711168e-14 -2.72370025536e-14 -3.636940929216e-14 ] [ -2.611547891904e-14 3.2043532416e-16 1.12152363456e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.7233245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.397630656955185e-18 } }