{ "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" [ [ 0.9541135 0.9980995 1.487518 ] [ 0.5060444 0.4713921 2.728449 ] [ 2.547937 2.415228 0.679434 ] [ 2.841188 2.325305 2.080908 ] [ 1.503866 2.653234 2.3648 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.541135e-11 9.980995000000001e-11 1.487518e-10 ] [ 5.060444e-11 4.713921e-11 2.728449e-10 ] [ 2.547937e-10 2.415228e-10 6.79434e-11 ] [ 2.841188e-10 2.325305e-10 2.080908e-10 ] [ 1.503866e-10 2.653234e-10 2.3648e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.4404672 -7.1455985 -39.2554996 ] [ -17.714424 -21.6481715 35.948492 ] [ 3.787586 6.6657249 -48.6165125 ] [ 60.0258613 -4.0526704 29.8769664 ] [ -40.6585561 26.1807154 22.0465537 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.716589354069236e-09 -1.144851085832355e-08 -6.289424369694375e-08 ] [ -2.838163598373842e-08 -3.468419426036887e-08 5.759583343541584e-08 ] [ 6.068381738469389e-09 1.067966859546442e-08 -7.789223971233097e-08 ] [ 9.61720316182435e-08 -6.493093766688185e-09 4.786817706650714e-08 ] [ -6.514218801890523e-08 4.194613012969852e-08 3.532247290735174e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 45.190506 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.240317219532213e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8539945 0.5136762 0.5305159 ] [ 0.0839522 0.8914045 2.7326502 ] [ 2.7525191 1.8759094 0.1770025 ] [ 3.1557853 3.0955979 2.1606276 ] [ 1.5068978 2.4866705 3.7403128 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.539945e-11 5.136762e-11 5.305159000000001e-11 ] [ 8.395220000000001e-12 8.914045e-11 2.7326502e-10 ] [ 2.7525191e-10 1.8759094e-10 1.770025e-11 ] [ 3.1557853e-10 3.0955979e-10 2.1606276e-10 ] [ 1.5068978e-10 2.4866705e-10 3.7403128e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.05e-05 1.91e-05 8.2e-06 ] [ 2.25e-05 -9.3e-06 -1.14e-05 ] [ -2.29e-05 -5.3e-06 4.8e-06 ] [ 7e-06 -1.97e-05 -1.5e-06 ] [ -1.71e-05 1.52e-05 -2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.68228545184e-14 3.060157345728e-14 1.313784829056e-14 ] [ 3.604897396800001e-14 -1.490024257344e-14 -1.826481347712e-14 ] [ -3.668984461632e-14 -8.491536090240001e-15 7.69044777984e-15 ] [ 1.12152363456e-14 -3.156287942976e-14 -2.4032649312e-15 ] [ -2.739722021568e-14 2.435308463616e-14 -3.2043532416e-16 ] ] } "relaxed-potential-energy" { "source-value" -7.0960126 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.136906548862222e-18 } }