{ "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" [ [ 0.4008083 0.5190667 2.588988 ] [ 0.3705603 2.591564 0.7446841 ] [ 2.694344 0.0700188 2.876141 ] [ 2.159519 1.331763 1.766469 ] [ 2.561241 2.816208 0.1583109 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.008083e-11 5.190667e-11 2.588988e-10 ] [ 3.705603e-11 2.591564e-10 7.446841e-11 ] [ 2.694344e-10 7.001880000000001e-12 2.876141e-10 ] [ 2.159519e-10 1.331763e-10 1.766469e-10 ] [ 2.561241e-10 2.816208e-10 1.583109e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.8057151 -0.378904 0.8684236 ] [ -3.4862247 -1.4928478 1.7781288 ] [ 9.5104915 -15.8897878 13.7899204 ] [ 0.9477176 15.4090208 -13.5148875 ] [ 2.8337306 2.3525188 -2.9215853 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.571048748344553e-08 -6.070711303276032e-10 1.391367988870971e-09 ] [ -5.585547709195495e-09 -2.391805843572714e-09 2.848876392131159e-09 ] [ 1.523748713361712e-08 -2.545824652263307e-08 2.209388806757298e-08 ] [ 1.518410981840686e-09 2.468797287518091e-08 -2.165323678524216e-08 ] [ 4.540136916965557e-09 3.769150621352471e-09 -4.680895663332953e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.729636 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.37335898249403e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.0575509 0.6172036 2.457484 ] [ 0.0199197 2.2885413 0.8443016 ] [ 2.278332 0.1184974 2.9228537 ] [ 3.6132255 1.4815994 1.597274 ] [ 2.2174445 2.8227789 0.3126797 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.755090000000001e-12 6.172036e-11 2.457484e-10 ] [ 1.99197e-12 2.2885413e-10 8.443016e-11 ] [ 2.278332e-10 1.184974e-11 2.9228537e-10 ] [ 3.6132255e-10 1.4815994e-10 1.597274e-10 ] [ 2.2174445e-10 2.8227789e-10 3.126797e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.5e-06 -2.3e-06 5.5e-06 ] [ 5.3e-06 8.6e-06 1.3e-06 ] [ 6.5e-06 -1.06e-05 -4.8e-06 ] [ -2.02e-05 1.1e-05 1.03e-05 ] [ 5.8e-06 -6.7e-06 -1.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.005441552e-15 -3.68500622784e-15 8.8119714144e-15 ] [ 8.491536090240001e-15 1.377871893888e-14 2.08282960704e-15 ] [ 1.04141480352e-14 -1.698307218048e-14 -7.69044777984e-15 ] [ -3.236396774016e-14 1.76239428288e-14 1.650241919424e-14 ] [ 9.292624400640001e-15 -1.073458335936e-14 -1.970677243584e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.435516 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992389300278433e-18 } }