{ "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" [ [ 0.08428640000000001 1.0880192000000002 -0.6156320000000001 ] [ 0.3997265000000001 -0.022912300000000003 -0.057465400000000014 ] [ 0.6695598000000001 0.6916662000000001 -1.2754148000000003 ] [ 0.8337690000000002 -0.07860830000000002 -0.018484300000000002 ] [ -0.31686640000000005 -0.8009935000000002 -0.7646937000000003 ] [ -0.31853780000000004 -0.5646900000000001 1.1070882000000002 ] [ -1.2405472000000002 -0.5228897000000001 0.17367430000000003 ] [ -0.11139020000000002 0.21040840000000005 1.4509276000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.350416995313971e-10 1.74319892522152e-09 -9.863511974163456e-10 ] [ 6.404324530142113e-10 -3.670955138875584e-11 -9.206972038492033e-11 ] [ 1.072753057787524e-09 1.108171415037577e-09 -2.043439774382308e-09 ] [ 1.335845198947796e-09 -1.259443804608327e-10 -2.961511331185344e-11 ] [ -5.076759379970612e-10 -1.283333059112765e-09 -1.225174368213049e-09 ] [ -5.103538160010663e-10 -9.047331159995523e-10 1.773750831203555e-09 ] [ -1.987575720838902e-09 -8.37761652597126e-10 2.782569030938055e-10 ] [ -1.784667742262362e-10 3.371114192999348e-10 2.324642279193454e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 156.49006 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.507247155195892e-17 } }