{ "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" [ [ 0.4746970000000001 1.4833803000000003 -1.0894801000000003 ] [ 0.5432634000000001 0.17000390000000004 0.4620550000000001 ] [ 1.1398244000000002 1.2013273000000002 -2.3421414000000005 ] [ 0.8923245000000002 -0.12959320000000002 0.6098604000000001 ] [ -0.5929507000000002 -0.7389333000000001 -1.6572178000000004 ] [ -0.5068016000000001 -1.3452470000000003 2.3518951000000006 ] [ -1.4552342000000003 -0.6081986000000001 -0.9536262000000002 ] [ -0.4951229000000001 -0.032739300000000006 2.6186550000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.605484416298981e-10 2.376637255995911e-09 -1.745539559427984e-09 ] [ 8.704039255873956e-10 2.723762762688727e-10 7.4029372462287e-10 ] [ 1.82620002054307e-09 1.924738529846309e-09 -3.752524224604048e-09 ] [ 1.429661463845733e-09 -2.076311969652888e-10 9.771040828818938e-10 ] [ -9.500117566539439e-10 -1.183901667344512e-09 -2.655155636608886e-09 ] [ -8.119856815938145e-10 -2.155323310358598e-09 3.768151374839094e-09 ] [ -2.331542232237683e-09 -9.744415857515125e-10 -1.527877615210211e-09 ] [ -7.932743413383187e-10 -5.24541414735162e-11 4.19554785350727e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.02589407419016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.169807936462654e-18 } }