{ "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" [ 5.44972 0 0 ] "si-unit" "m" "si-value" [ 5.44972e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0609808 5.45304 0 ] "si-unit" "m" "si-value" [ -6.09808e-12 5.45304e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0674249 -0.145247 5.63878 ] "si-unit" "m" "si-value" [ -6.742489999999999e-12 -1.45247e-11 5.63878e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00897115 -0.00389651 -0.0378043 ] [ 1.32076 1.2724 1.76049 ] [ 0.246678 2.71711 2.69984 ] [ 1.36622 4.37217 4.08545 ] [ 2.70002 -0.0778066 3.30264 ] [ 4.02111 1.29847 4.36135 ] [ 2.82584 3.00896 0.436415 ] [ 4.07612 3.84466 1.60166 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.971150000000001e-13 -3.89651e-13 -3.78043e-12 ] [ 1.32076e-10 1.2724e-10 1.76049e-10 ] [ 2.46678e-11 2.71711e-10 2.69984e-10 ] [ 1.36622e-10 4.37217e-10 4.08545e-10 ] [ 2.70002e-10 -7.780660000000001e-12 3.30264e-10 ] [ 4.02111e-10 1.29847e-10 4.36135e-10 ] [ 2.82584e-10 3.00896e-10 4.36415e-11 ] [ 4.076120000000001e-10 3.84466e-10 1.60166e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.40686840000000013 0.21682830000000006 2.3117518000000006 ] [ 4.339092100000001 -3.4993898000000008 -4.6104609000000005 ] [ -6.254084100000002 1.1487490000000002 7.673795300000002 ] [ -8.904929800000001 -13.821269000000003 11.949064700000001 ] [ 10.472335200000002 7.930526300000002 -11.314295400000002 ] [ 3.508892700000001 4.652661600000001 -0.6585593000000001 ] [ -9.790600200000002 -4.965245300000001 -11.073615500000002 ] [ 6.222425600000002 8.337139000000002 5.7223193000000006 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.518750382223029e-10 3.473972329878087e-10 3.703834687052318e-09 ] [ 6.951991918117978e-09 -5.60664052462599e-09 -7.386772665092528e-09 ] [ -1.002014732953701e-08 1.84049879096738e-09 1.229477542246492e-08 ] [ -1.426727033542522e-08 -2.21441140615878e-08 1.914451210276657e-08 ] [ 1.67785306226209e-08 1.270610382849953e-08 -1.812749957070499e-08 ] [ 5.62186584883579e-09 7.454385640013923e-09 -1.055128313870414e-09 ] [ -1.568627074403981e-08 -7.955199936197084e-09 -1.774188786182851e-08 ] [ 9.969424820987416e-09 1.33575691901599e-08 9.168166199212621e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.72689 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.282119830469332e-18 } }