{ "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" [ [ -16.5049841 -2.7757834 3.2709471 ] [ -4.867465 0.3360492 0.53975 ] [ 21.7726275 -33.7002516 29.2007571 ] [ -5.0485617 35.0113454 -30.9800104 ] [ 4.6483833 1.1286405 -2.0314439 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.644389965169573e-08 -4.447295267884735e-09 5.240634971493559e-09 ] [ -7.798538625562273e-09 5.384101716785434e-10 8.647748310768e-10 ] [ 3.488359475388715e-08 -5.399375522859779e-08 4.678477033527961e-08 ] [ -8.088687524406303e-09 5.609435906263363e-08 -4.963544837502086e-08 ] [ 7.447531047777152e-09 1.808281422388022e-09 -3.254731923046773e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 4.7507602 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.611556923467133e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2668946 0.5132071 2.4878195 ] [ 0.2426281 2.364249 0.7471494 ] [ 2.8057273 -0.2515591 2.4685769 ] [ 2.1006242 2.275554 2.4816071 ] [ 2.7705984 2.4271694 -0.0505598 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.668946e-11 5.132071000000001e-11 2.4878195e-10 ] [ 2.426281e-11 2.364249e-10 7.471494e-11 ] [ 2.8057273e-10 -2.515591e-11 2.4685769e-10 ] [ 2.1006242e-10 2.275554e-10 2.4816071e-10 ] [ 2.7705984e-10 2.4271694e-10 -5.05598e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.8e-06 5.26e-05 -1.15e-05 ] [ 9.2e-06 -3.02e-05 1.09e-05 ] [ 2e-06 6.9e-06 1.89e-05 ] [ -7e-07 -5.97e-05 -3.12e-05 ] [ -1.53e-05 3.05e-05 1.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.69044777984e-15 8.427449025408001e-14 -1.84250311392e-14 ] [ 1.474002491136e-14 -4.838573394816e-14 1.746372516672e-14 ] [ 3.2043532416e-15 1.105501868352e-14 3.028113813312e-14 ] [ -1.12152363456e-15 -9.564994426176e-14 -4.998791056896e-14 ] [ -2.451330229824e-14 4.88663869344e-14 2.08282960704e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.498488 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.842260864814935e-18 } }