{ "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" [ [ 0.3126518 0.5217928 0.1846885 ] [ 0.8333114 2.588069 2.680495 ] [ 2.642381 0.0430457 2.992394 ] [ 2.45603 2.243401 1.184533 ] [ 2.245972 1.834771 2.762862 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.126518e-11 5.217928e-11 1.846885e-11 ] [ 8.333114000000001e-11 2.588069e-10 2.680495e-10 ] [ 2.642381e-10 4.30457e-12 2.992394e-10 ] [ 2.45603e-10 2.243401e-10 1.184533e-10 ] [ 2.245972e-10 1.834771e-10 2.762862e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1081284 1.1145949 0.7273566 ] [ -24.2793101 10.0787484 4.2264095 ] [ 2.325219 -13.3695007 2.362764 ] [ 7.1096003 3.270754 -24.3010743 ] [ 13.7363623 -1.0945967 16.9845442 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.775417415324511e-09 1.785777890442914e-09 1.165353739504577e-09 ] [ -3.889974301137331e-08 1.614793505340541e-08 6.771454490827018e-09 ] [ 3.725411520039956e-09 -2.142030145330923e-08 3.785565241267891e-09 ] [ 1.139083538389267e-08 5.240325591188083e-09 -3.893461310378373e-08 ] [ 2.200807853189851e-08 -1.753737241944832e-09 2.721223963218424e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.6915843 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.118923300772334e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.47086 0.518957 1.0487102 ] [ 0.4340861 2.6813864 2.2345211 ] [ 2.5240386 -0.1112058 2.2615377 ] [ 2.5740959 2.0907186 0.8128542 ] [ 2.4872656 2.0512233 3.4473493 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.7086e-11 5.18957e-11 1.0487102e-10 ] [ 4.340861e-11 2.6813864e-10 2.2345211e-10 ] [ 2.5240386e-10 -1.112058e-11 2.2615377e-10 ] [ 2.5740959e-10 2.0907186e-10 8.128542e-11 ] [ 2.4872656e-10 2.0512233e-10 3.4473493e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.4e-06 4e-07 -1.9e-06 ] [ 4.3e-06 -1.5e-06 7e-07 ] [ 3.2e-06 -3.5e-06 2.8e-06 ] [ -4e-07 2.9e-06 1e-07 ] [ -2.7e-06 1.7e-06 -1.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.04957713152e-15 6.408706483200001e-16 -3.04413557952e-15 ] [ 6.889359469440001e-15 -2.4032649312e-15 1.12152363456e-15 ] [ 5.126965186560001e-15 -5.6076181728e-15 4.48609453824e-15 ] [ -6.408706483200001e-16 4.646312200320001e-15 1.6021766208e-16 ] [ -4.32587687616e-15 2.72370025536e-15 -2.72370025536e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.901027 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.906754722290956e-18 } }