{ "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" [ 5.51626 0 0 ] "si-unit" "m" "si-value" [ 5.516260000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0156708 5.55287 0 ] "si-unit" "m" "si-value" [ 1.56708e-12 5.55287e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0707378 -0.0779479 5.31818 ] "si-unit" "m" "si-value" [ 7.073780000000001e-12 -7.79479e-12 5.31818e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0442334 -0.0178769 0.0866315 ] [ 1.37385 1.41168 1.32363 ] [ 0.027051 2.64271 2.7677 ] [ 1.3087 3.96384 4.18589 ] [ 2.72942 0.00808237 2.56914 ] [ 4.1019 1.31789 4.05807 ] [ 2.73169 2.7615 0.0742825 ] [ 4.00667 4.08894 1.33622 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.42334e-12 -1.78769e-12 8.66315e-12 ] [ 1.37385e-10 1.41168e-10 1.32363e-10 ] [ 2.7051e-12 2.64271e-10 2.7677e-10 ] [ 1.3087e-10 3.96384e-10 4.18589e-10 ] [ 2.72942e-10 8.082370000000001e-13 2.56914e-10 ] [ 4.1019e-10 1.31789e-10 4.05807e-10 ] [ 2.73169e-10 2.7615e-10 7.42825e-12 ] [ 4.00667e-10 4.08894e-10 1.33622e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9060292 0.5244741 0.1469456 ] [ -0.8082015 0.0095549 0.409667 ] [ -1.2337 1.3412618 -1.0115552 ] [ 1.285119 1.5645159 -2.4764652 ] [ -1.0636762 -1.3207641 2.6597143 ] [ 0.2236894 -2.3295607 -0.1087236 ] [ 0.7363046 0.1111715 -1.0517722 ] [ 2.7664939 0.0993464 1.4321892 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.053795422802127e-09 8.403001412351215e-10 2.354328048494285e-10 ] [ -1.294881548195491e-09 1.530863739408192e-11 6.563588897132736e-10 ] [ -1.97660529708096e-09 2.148938298332126e-09 -1.620690092088668e-09 ] [ 2.058987616745875e-09 2.506630797849871e-09 -3.967734645664796e-09 ] [ -1.704197139741385e-09 -2.116097362611953e-09 4.261332069467438e-09 ] [ 3.583899270007795e-10 -3.732367690274482e-09 -1.741944100492109e-10 ] [ 1.179690015907496e-09 1.781163781992672e-10 -1.685124829247382e-09 ] [ 4.432411848165813e-09 1.591704794406451e-10 2.294620052802256e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -216.90115 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.475139515546339e-17 } }