{ "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" [ [ 0.6324797000000001 1.3823687000000002 -0.8377351000000002 ] [ 0.6652775000000001 0.3818968000000001 0.36976970000000003 ] [ 1.3231998000000003 1.4191063000000002 -2.4441360000000003 ] [ 0.9641011000000003 0.018997800000000002 0.6221722000000001 ] [ -0.7272990000000001 -0.7781654000000002 -1.8871114000000004 ] [ -0.5498487000000001 -1.7044630000000005 2.6246149000000005 ] [ -1.5294372000000005 -0.5130674000000001 -1.1361401000000002 ] [ -0.7784731000000003 -0.20667380000000005 2.6885657000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.013344188470598e-09 2.214798812465689e-09 -1.34219959164355e-09 ] [ 1.065892056844272e-09 6.118661245183335e-10 5.924363684202298e-10 ] [ 2.119999784207236e-09 2.273658936289991e-09 -3.91593755725563e-09 ] [ 1.544660242507563e-09 3.043783100663424e-11 9.968297529517019e-10 ] [ -1.16526145413122e-09 -1.246758410995481e-09 -3.023485765925158e-09 ] [ -8.809547321172731e-10 -2.730850769618631e-09 4.205096631383331e-09 ] [ -2.450428524821815e-09 -8.220245931746421e-10 -1.820297106173374e-09 ] [ -1.247251400741701e-09 -3.311279304918952e-10 4.307557108024787e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.000223 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.767871563418644e-18 } }