{ "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" [ 5.30636 0 0 ] "si-unit" "m" "si-value" [ 5.30636e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0781877 5.44815 0 ] "si-unit" "m" "si-value" [ -7.81877e-12 5.44815e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00200818 -0.0968672 5.44923 ] "si-unit" "m" "si-value" [ -2.00818e-13 -9.686720000000001e-12 5.44923e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0183636 0.00704735 0.0168371 ] [ 1.29138 1.3449 1.40641 ] [ -0.0614737 2.68753 2.83465 ] [ 1.25782 4.05715 4.11756 ] [ 2.70205 0.0250121 2.83894 ] [ 3.96698 1.43423 4.04452 ] [ 2.67871 2.79142 0.0958918 ] [ 4.00247 4.11579 1.29634 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.83636e-12 7.04735e-13 1.68371e-12 ] [ 1.29138e-10 1.3449e-10 1.40641e-10 ] [ -6.14737e-12 2.687530000000001e-10 2.83465e-10 ] [ 1.25782e-10 4.05715e-10 4.117560000000001e-10 ] [ 2.70205e-10 2.50121e-12 2.83894e-10 ] [ 3.96698e-10 1.43423e-10 4.044520000000001e-10 ] [ 2.67871e-10 2.79142e-10 9.589180000000001e-12 ] [ 4.00247e-10 4.11579e-10 1.29634e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.43545650000000014 1.4987461000000002 -0.9006068000000003 ] [ 0.5921726000000002 0.4207530000000001 0.29533050000000005 ] [ 0.9580965000000002 1.1826511000000002 -2.2662299000000004 ] [ 0.9391719000000002 -0.08289550000000001 0.5149597000000001 ] [ -0.6044316000000001 -0.9208852000000002 -1.7559277000000004 ] [ -0.21230080000000007 -1.3626529000000003 2.4086017000000006 ] [ -1.4895388000000003 -0.6671493000000001 -1.0780421000000002 ] [ -0.6186264000000001 -0.06856720000000001 2.7819148000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.976782294234212e-10 2.401255981718627e-09 -1.442931171381512e-09 ] [ 9.487651030150286e-10 6.741206252854021e-10 4.731716264075371e-10 ] [ 1.535039825417181e-09 1.894815958594398e-09 -3.630900593052157e-09 ] [ 1.504719273489385e-09 -1.32813233163747e-10 8.250563987916499e-10 ] [ -9.684061863712343e-10 -1.475420750036417e-09 -2.813306331933362e-09 ] [ -3.401433811395072e-10 -2.183210636632339e-09 3.859005364352678e-09 ] [ -2.386504260796399e-09 -1.068891019849456e-09 -1.727213863088292e-09 ] [ -9.911487632555377e-10 -1.098567656988048e-10 4.457118890338784e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.263611 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.810071020866536e-18 } }