{ "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" [ [ 1.08267 0.385996 1.67532 ] [ 0.7413004 2.189146 0.0242846 ] [ 0.0452684 1.636125 2.5153 ] [ 2.351375 1.598321 0.2166547 ] [ 2.147702 1.718144 2.949578 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08267e-10 3.85996e-11 1.67532e-10 ] [ 7.413004e-11 2.189146e-10 2.42846e-12 ] [ 4.52684e-12 1.636125e-10 2.5153e-10 ] [ 2.351375e-10 1.598321e-10 2.166547e-11 ] [ 2.147702e-10 1.718144e-10 2.949578e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.8642402 -21.0872427 -11.7741149 ] [ -32.4324711 10.783867 -2.1692351 ] [ -19.3594575 15.3618033 6.6136591 ] [ 33.9438066 -9.3007802 0.409481 ] [ 10.9838818 4.2423525 6.9202099 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.099772516799552e-08 -3.378548725107547e-08 -1.886421162339293e-08 ] [ -5.196254695119166e-08 1.727765958921664e-08 -3.47549776223875e-09 ] [ -3.101727019787122e-08 2.461232210058829e-08 1.059624998796117e-08 ] [ 5.438397335547675e-08 -1.490149259163955e-08 6.560608848618047e-10 ] [ 1.759811862559062e-08 6.796997992692432e-09 1.10873985128087e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 4.8649597 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.794524692474182e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.2643955 -0.2360738 1.7294881 ] [ 0.4192201 2.6487625 0.127981 ] [ -0.1926475 1.7765838 2.3407164 ] [ 2.5638904 1.4700888 0.3338924 ] [ 2.3134573 1.8683706 2.8490594 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2643955e-10 -2.360738e-11 1.7294881e-10 ] [ 4.192201e-11 2.6487625e-10 1.27981e-11 ] [ -1.926475e-11 1.7765838e-10 2.3407164e-10 ] [ 2.5638904e-10 1.4700888e-10 3.338924e-11 ] [ 2.3134573e-10 1.8683706e-10 2.8490594e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.31e-05 -2.58e-05 -1.27e-05 ] [ 2.33e-05 -2.88e-05 1.39e-05 ] [ 1.47e-05 1.54e-05 4.9e-06 ] [ -1.54e-05 2.98e-05 3.19e-05 ] [ -9.5e-06 9.3e-06 -3.8e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.098851373248e-14 -4.133615681664e-14 -2.034764308416e-14 ] [ 3.733071526464e-14 -4.614268667904e-14 2.227025502912e-14 ] [ 2.355199632576e-14 2.467351996032e-14 7.850665441919999e-15 ] [ -2.467351996032e-14 4.774486329984001e-14 5.110943420352001e-14 ] [ -1.52206778976e-14 1.490024257344e-14 -6.08827115904e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.977047 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.758716806882278e-18 } }