{ "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" [ 5.36644 0 0 ] "si-unit" "m" "si-value" [ 5.366440000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.227231 5.37948 0 ] "si-unit" "m" "si-value" [ -2.27231e-11 5.379480000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0350261 -0.0899265 5.39939 ] "si-unit" "m" "si-value" [ -3.50261e-12 -8.992650000000001e-12 5.399390000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00104229 0.0077963 0.00224549 ] [ 1.32493 1.37357 1.36608 ] [ -0.0958533 2.66355 2.80902 ] [ 1.19786 4.07015 4.22336 ] [ 2.70129 0.113781 2.60003 ] [ 3.9906 1.45175 3.98519 ] [ 2.48193 2.86985 0.00162227 ] [ 4.00824 4.16333 1.43322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04229e-13 7.7963e-13 2.24549e-13 ] [ 1.32493e-10 1.37357e-10 1.36608e-10 ] [ -9.58533e-12 2.66355e-10 2.80902e-10 ] [ 1.19786e-10 4.07015e-10 4.22336e-10 ] [ 2.70129e-10 1.13781e-11 2.60003e-10 ] [ 3.9906e-10 1.45175e-10 3.98519e-10 ] [ 2.48193e-10 2.86985e-10 1.62227e-13 ] [ 4.00824e-10 4.16333e-10 1.43322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0588158 2.3115851 -0.9628524 ] [ -1.2789493 0.9182669 -0.4838476 ] [ 2.3442962 2.1303412 -2.1794136 ] [ -0.6180428 1.3261242 -3.0458142 ] [ 0.4330291 -1.3744405 1.338315 ] [ -2.1729231 -1.8793732 2.8649059 ] [ 2.932638 -1.6356697 1.5849046 ] [ -1.5812323 -1.7968341 0.8838023 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.423330047001718e-11 3.703567634722553e-09 -1.542659617270821e-09 ] [ -2.049102684530656e-09 1.471225770955615e-09 -7.752093191369783e-10 ] [ 3.75597659481499e-09 3.413182893087521e-09 -3.491805545741823e-09 ] [ -9.902137329719351e-10 2.124685207021943e-09 -4.879932342745402e-09 ] [ 6.937891058620493e-10 -2.202096453923277e-09 2.14421702193171e-09 ] [ -3.481406618298845e-09 -3.011087827605809e-09 4.59008529158874e-09 ] [ 4.698604079580491e-09 -2.620631774281789e-09 2.539297117239116e-09 ] [ -2.533413443986078e-09 -2.878845610194419e-09 1.416007394135458e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.760798 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.729511496879393e-18 } }