{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.441900000000001e-10 0.0 0.0 ] "source-value" [ 5.4419 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.61794e-11 5.44502e-10 0.0 ] "source-value" [ 0.361794 5.44502 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.66443e-12 2.98499e-11 5.53333e-10 ] "source-value" [ 0.0366443 0.298499 5.53333 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 5.097059117973809e-09 -4.065601681934419e-09 4.587932248828952e-09 ] [ 1.68375267712403e-08 8.22795720782233e-09 -1.010732800796356e-08 ] [ -5.90848915802575e-09 -1.268317940475613e-08 3.781662178801961e-09 ] [ 1.050773709967442e-08 6.443434142108827e-09 -4.464029522036004e-09 ] [ -4.959856242398615e-09 2.021004975814232e-09 8.563017520612316e-09 ] [ -4.313028861620143e-09 9.582169919768638e-09 -1.388817515951852e-08 ] [ -5.068549987183294e-09 -2.816011103326351e-09 2.198061402026476e-08 ] [ -1.219239857944307e-08 -6.709774055497121e-09 -1.045369327898991e-08 ] ] "source-value" [ [ 3.1813340999999995 -2.5375489999999994 2.8635620999999998 ] [ 10.509157699999998 5.1354869999999995 -6.308497999999999 ] [ -3.6877888999999997 -7.916217999999999 2.3603278999999997 ] [ 6.558413699999999 4.021675299999999 -2.7862280999999998 ] [ -3.0956987999999996 1.2614120999999998 5.344615199999999 ] [ -2.6919808999999995 5.980720099999999 -8.668317199999999 ] [ -3.1635400999999996 -1.7576158999999998 13.719220299999998 ] [ -7.609896699999999 -4.187911599999999 -6.524682199999999 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.302689896005901e-18 "source-value" -14.37226 } }