{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.4419 0 0 ] "si-unit" "m" "si-value" [ 5.441900000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.361794 5.44502 0 ] "si-unit" "m" "si-value" [ 3.61794e-11 5.44502e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0366443 0.298499 5.53333 ] "si-unit" "m" "si-value" [ 3.66443e-12 2.98499e-11 5.53333e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.128377 -0.150066 -0.170326 ] [ 1.39649 1.37402 1.31098 ] [ -0.0542726 2.97617 3.14736 ] [ 1.41657 4.24499 4.02908 ] [ 2.7363 -0.234712 2.6251 ] [ 4.24505 1.08558 3.99518 ] [ 2.94651 2.56191 -0.00354123 ] [ 4.33312 3.8007 1.43779 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.28377e-11 -1.50066e-11 -1.70326e-11 ] [ 1.39649e-10 1.37402e-10 1.31098e-10 ] [ -5.42726e-12 2.97617e-10 3.14736e-10 ] [ 1.41657e-10 4.24499e-10 4.02908e-10 ] [ 2.7363e-10 -2.34712e-11 2.6251e-10 ] [ 4.24505e-10 1.08558e-10 3.99518e-10 ] [ 2.94651e-10 2.56191e-10 -3.54123e-13 ] [ 4.33312e-10 3.8007e-10 1.43779e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.3357022999999995 -2.2106245999999996 7.506025199999999 ] [ -1.6075881999999997 -0.5406355999999999 0.9167645999999999 ] [ 0.7304440999999999 -5.312359099999999 -2.2788514999999996 ] [ 5.291226499999999 -0.7961600999999999 1.9527685999999997 ] [ -2.0200170999999996 2.7746840999999995 0.7636286999999999 ] [ -5.5787607999999995 5.242872599999999 -2.4390554999999994 ] [ -0.5390660999999999 -0.9991093999999999 -2.2849537999999994 ] [ 0.38805919999999994 1.8413321999999999 -4.136326399999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.344384239008787e-09 -3.541811051485351e-09 1.202597809057564e-08 ] [ -2.575640229913954e-09 -8.661937186921803e-10 1.468818808897064e-09 ] [ 1.170300459821297e-09 -8.511337551314127e-09 -3.651122595575011e-09 ] [ 8.47747939365741e-09 -1.27558909863379e-09 3.128680196752346e-09 ] [ -3.236424171236215e-09 4.445533995125488e-09 1.223468050111897e-09 ] [ -8.938160126795504e-09 8.40000790555291e-09 -3.907797698933654e-09 ] [ -8.636791024858348e-10 -1.600749722301515e-09 -3.660899557968118e-09 ] [ 6.217393777263513e-10 2.95013940196623e-09 -6.627125454077828e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.970622 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.122258312083414e-18 } }