{ "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" [ 5.46879 0 0 ] "si-unit" "m" "si-value" [ 5.468790000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.164352 5.45396 0 ] "si-unit" "m" "si-value" [ -1.64352e-11 5.453960000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.164037 0.0480481 5.25114 ] "si-unit" "m" "si-value" [ -1.64037e-11 4.804810000000001e-12 5.251140000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.110213 -0.12035 -0.0596546 ] [ 1.31419 1.39201 1.41434 ] [ -0.168287 2.6382 2.797 ] [ 1.3034 4.08885 4.02601 ] [ 2.55869 -0.0573607 2.7167 ] [ 3.95328 1.36182 4.12861 ] [ 2.72846 2.73806 0.151815 ] [ 4.07331 4.0714 1.3741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.10213e-11 -1.2035e-11 -5.96546e-12 ] [ 1.31419e-10 1.39201e-10 1.41434e-10 ] [ -1.68287e-11 2.6382e-10 2.797e-10 ] [ 1.3034e-10 4.08885e-10 4.02601e-10 ] [ 2.55869e-10 -5.736070000000001e-12 2.7167e-10 ] [ 3.95328e-10 1.36182e-10 4.12861e-10 ] [ 2.72846e-10 2.73806e-10 1.51815e-11 ] [ 4.07331e-10 4.0714e-10 1.3741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 29.50581740000001 -6.700646200000002 3.9174735000000007 ] [ -6.866812000000002 -1.9692475000000005 -3.341106000000001 ] [ 6.0246593000000015 5.672781100000001 -2.4089588000000006 ] [ -26.946347400000008 -17.517560500000002 18.420610800000002 ] [ 27.564828500000008 18.537099300000005 -17.732722500000005 ] [ -22.480353300000004 11.320851400000002 -11.674481000000002 ] [ 1.7463706000000006 -7.074511800000002 -4.106611600000001 ] [ -8.548163100000002 -2.2687659000000004 16.925795600000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.727353081587385e-08 -1.073561868589236e-08 6.27648445430355e-09 ] [ -1.100184564582889e-08 -3.155082305068849e-09 -5.353041920814606e-09 ] [ 9.652568278745297e-09 9.088797253336109e-09 -3.859577469830424e-09 ] [ -4.317280782023488e-08 -2.806622588654956e-08 2.951307196461599e-08 ] [ 4.416372377906155e-08 2.969970711590806e-08 -2.841095341263414e-08 ] [ -3.601749648458413e-08 1.813800344063095e-08 -1.870458051817381e-08 ] [ 2.797994146572469e-09 -1.133461740953373e-08 -6.579517096226083e-09 ] [ -1.369566706960526e-08 -3.634963683048271e-09 2.711811399875952e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -28.587278 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.580186846391018e-18 } }