{ "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" [ 5.45864 0 0 ] "si-unit" "m" "si-value" [ 5.45864e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103818 5.38839 0 ] "si-unit" "m" "si-value" [ 1.03818e-11 5.388390000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.113176 0.0705962 5.39093 ] "si-unit" "m" "si-value" [ 1.13176e-11 7.05962e-12 5.39093e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000432489 -6.72518e-05 0.0122781 ] [ 1.51992 1.38746 1.2495 ] [ 0.155886 2.80678 2.64329 ] [ 1.56947 4.13166 3.92938 ] [ 2.77407 -0.0290867 2.65575 ] [ 4.2526 1.27774 3.82666 ] [ 2.78396 2.65139 -0.0871139 ] [ 4.18696 3.99308 1.34271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.32489e-14 -6.72518e-15 1.22781e-12 ] [ 1.51992e-10 1.38746e-10 1.2495e-10 ] [ 1.55886e-11 2.80678e-10 2.64329e-10 ] [ 1.56947e-10 4.13166e-10 3.92938e-10 ] [ 2.77407e-10 -2.90867e-12 2.65575e-10 ] [ 4.2526e-10 1.27774e-10 3.82666e-10 ] [ 2.78396e-10 2.65139e-10 -8.71139e-12 ] [ 4.18696e-10 3.99308e-10 1.34271e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4391364000000001 0.006446000000000002 -0.5955831000000001 ] [ -1.6749002000000004 -0.5624843000000002 0.9164365000000002 ] [ 0.5674075000000001 -1.4113025000000001 -0.47097670000000014 ] [ -0.8800386000000002 -0.5883557000000001 1.7865298000000005 ] [ 0.4551654000000001 0.7684444000000002 -1.3044633000000003 ] [ -0.32019690000000006 1.3525004000000003 2.1612762000000005 ] [ 1.7448037000000005 0.20515180000000005 -1.2127923000000003 ] [ -0.33137710000000004 0.22959980000000005 -1.2804271000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.035740792188777e-10 1.0327630582764e-11 -9.542293264252857e-10 ] [ -2.683485964721927e-09 -9.011992024518464e-10 1.468293146844741e-09 ] [ 9.09087038456355e-10 -2.261155889005785e-09 -7.545878638984279e-10 ] [ -1.409977281938073e-09 -9.42649755020714e-10 2.862336301504694e-09 ] [ 7.292553684852637e-10 1.23118366220815e-09 -2.089980619170532e-09 ] [ -5.130119914592346e-10 2.166944538355654e-09 3.462746227260311e-09 ] [ 2.795483719056746e-09 3.286894203830413e-10 -1.943107484955118e-09 ] [ -5.309246466626814e-10 3.678594347310732e-10 -2.051470381160382e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.565048 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.858366552668843e-18 } }