{ "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" [ 5.11534 0 0 ] "si-unit" "m" "si-value" [ 5.11534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.215947 5.44617 0 ] "si-unit" "m" "si-value" [ -2.15947e-11 5.446170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.311017 -0.240161 5.43903 ] "si-unit" "m" "si-value" [ 3.11017e-11 -2.40161e-11 5.43903e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.11262 0.0410701 -0.0158461 ] [ 1.41877 1.4243 1.25044 ] [ 0.19719 2.45185 3.01922 ] [ 1.59796 4.1675 4.07229 ] [ 3.2205 -0.170535 2.05026 ] [ 3.94627 1.40202 3.6633 ] [ 2.60901 3.00439 -0.668036 ] [ 3.72698 4.31381 0.563179 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1262e-11 4.10701e-12 -1.58461e-12 ] [ 1.41877e-10 1.4243e-10 1.25044e-10 ] [ 1.9719e-11 2.45185e-10 3.01922e-10 ] [ 1.59796e-10 4.1675e-10 4.07229e-10 ] [ 3.2205e-10 -1.70535e-11 2.05026e-10 ] [ 3.94627e-10 1.40202e-10 3.6633e-10 ] [ 2.60901e-10 3.00439e-10 -6.68036e-11 ] [ 3.726980000000001e-10 4.31381e-10 5.63179e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 19.396053800000004 23.755636400000004 -19.077496000000004 ] [ 2.9711249000000004 -0.15155420000000003 1.5240472000000005 ] [ 26.21568600000001 21.657469000000003 -17.552847200000002 ] [ -6.4761871000000015 4.4569559000000005 -10.803005700000002 ] [ -20.225748100000004 12.335246100000004 19.825374000000004 ] [ -12.164219300000003 -27.02501180000001 10.167693200000002 ] [ -7.368728800000002 -3.9095356000000008 13.089947800000003 ] [ -2.3479813000000003 -31.119205900000008 2.8262866000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.107590419016691e-08 3.806072556587988e-08 -3.056551832642847e-08 ] [ 4.760266891475587e-09 -2.428165980245628e-10 2.441792812953125e-09 ] [ 4.200215955348093e-08 3.469909078337934e-08 -2.812276164401232e-08 ] [ -1.037599564903222e-08 7.140830601748441e-09 -1.730832330950882e-08 ] [ -3.240522101098989e-08 1.976324307605963e-08 3.176375098311112e-08 ] [ -1.948922793331184e-08 -4.329884243953429e-08 1.629044046672069e-08 ] [ -1.180600510564286e-08 -6.263766588111171e-09 2.097240850543971e-08 ] [ -3.761880775928944e-09 -4.985846456161494e-08 4.528210351507304e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.2664428 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.003994823245753e-18 } }