{ "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" [ [ -0.02618530000000001 1.6391285000000004 -1.3685764000000002 ] [ 0.7017485000000001 0.29628770000000004 0.6053017000000002 ] [ 0.5891764000000002 1.1096172000000002 -2.4728170000000005 ] [ 1.0522941000000001 -0.36788750000000003 1.0592704000000002 ] [ -0.23809050000000007 -0.9684953000000002 -2.4228183000000003 ] [ 0.27997390000000005 -1.5090399000000005 2.7277348000000003 ] [ -1.5988075000000004 -0.2922889000000001 -1.3314181000000003 ] [ -0.7601097000000002 0.09267820000000002 3.203322800000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.195347546863426e-11 2.626173361186973e-09 -2.19270111185863e-09 ] [ 1.124325040381469e-09 4.747052259706043e-10 9.698002322704957e-10 ] [ 9.439646536071094e-10 1.777802735877558e-09 -3.961889584916795e-09 ] [ 1.685961005225778e-09 -5.894207515845601e-10 1.697138269985465e-09 ] [ -3.814630327345825e-10 -1.551700527014682e-09 -3.881782836706401e-09 ] [ 4.485676370141972e-10 -2.417748447634371e-09 4.370312924302564e-09 ] [ -2.561571997659697e-09 -4.682984420993492e-10 -2.133166952329957e-09 ] [ -1.217829990583302e-09 1.484868452978266e-10 5.132288899035596e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.343483 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.822867878104225e-18 } }