{ "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" [ [ 0.1139215 0.7675217 1.173379 ] [ 0.3197986 0.4128002 2.663942 ] [ 1.547269 0.0076724 0.5415715 ] [ 1.777725 2.329132 1.457723 ] [ 2.606996 1.505358 2.342036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.139215e-11 7.675217e-11 1.173379e-10 ] [ 3.197986e-11 4.128002e-11 2.663942e-10 ] [ 1.547269e-10 7.672400000000001e-13 5.415715e-11 ] [ 1.777725e-10 2.329132e-10 1.457723e-10 ] [ 2.606996e-10 1.505358e-10 2.342036e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -20.7885211 16.2147991 -33.7936783 ] [ 5.1904537 -9.5474104 40.0563284 ] [ 14.2962959 -7.5125046 -6.5414943 ] [ -27.4575536 28.6225303 -30.0757674 ] [ 28.7593251 -27.7774144 30.3546116 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.33068824874275e-08 2.597897202898888e-08 -5.414344130309629e-08 ] [ 8.316023569484858e-09 -1.529663773206278e-08 6.417731287756707e-08 ] [ 2.29051910550189e-08 -1.203635923377246e-08 -1.048062923255646e-08 ] [ -4.399185044228288e-08 4.585834887479962e-08 -4.81866913808988e-08 ] [ 4.607751830520663e-08 -4.450432393795327e-08 4.863344903898448e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.020926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.925964659756686e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.3322798 1.1982071 1.0198603 ] [ 0.6062996 -0.007542 2.8707609 ] [ 1.7730318 0.0848882 0.7831671 ] [ 1.6900391 2.4763422 0.8269831 ] [ 2.6286193 1.2705888 2.6778801 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.322798e-11 1.1982071e-10 1.0198603e-10 ] [ 6.062996e-11 -7.542000000000001e-13 2.8707609e-10 ] [ 1.7730318e-10 8.48882e-12 7.831671000000001e-11 ] [ 1.6900391e-10 2.4763422e-10 8.269831e-11 ] [ 2.6286193e-10 1.2705888e-10 2.6778801e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.3e-06 7.5e-06 -3.3e-06 ] [ 3.4e-06 -1.4e-06 -1.1e-06 ] [ 4.1e-06 5.1e-06 4.3e-06 ] [ -5.5e-06 -8.9e-06 -2.2e-06 ] [ 2.5e-06 -2.4e-06 2.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.889359469440001e-15 1.2016324656e-14 -5.28718284864e-15 ] [ 5.44740051072e-15 -2.24304726912e-15 -1.76239428288e-15 ] [ 6.568924145279999e-15 8.17110076608e-15 6.889359469440001e-15 ] [ -8.8119714144e-15 -1.425937192512e-14 -3.52478856576e-15 ] [ 4.005441552e-15 -3.84522388992e-15 3.68500622784e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.137319633913408e-18 } }