{ "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" [ [ 0.33843070000000003 0.9995178000000002 -1.0085609000000002 ] [ 0.35004540000000006 0.23455050000000005 0.6866520000000002 ] [ 0.6602486000000001 0.9454599000000002 -1.9568923000000005 ] [ 0.4635649000000001 -0.17060150000000002 0.8648936000000003 ] [ -0.4253007000000001 -0.3208962000000001 -1.5433090000000005 ] [ -0.13830930000000002 -1.1798273000000001 2.1438930000000003 ] [ -0.8425166000000002 -0.26345230000000003 -1.4363970000000001 ] [ -0.4061630000000001 -0.24475090000000005 2.2497205000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.422257553009787e-10 1.601404051233451e-09 -1.615892694633007e-09 ] [ 5.608345560985844e-10 3.757913274969505e-10 1.100137781025562e-09 ] [ 1.057834870835931e-09 1.514793747683906e-09 -3.135287092483541e-09 ] [ 7.427128450034902e-10 -2.733337347734113e-10 1.385712305399547e-09 ] [ -6.814068383498747e-10 -5.141323893435611e-10 -2.472653598470228e-09 ] [ -2.215959268992135e-10 -1.890291716641588e-09 3.434895242096775e-09 ] [ -1.349860399155906e-09 -4.220971157559879e-10 -2.301361691587258e-09 ] [ -6.507448628339906e-10 -3.921341698997588e-10 3.604449588434487e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.988816 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.926261622627298e-18 } }