{ "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" [ [ 0.36033350000000003 1.4171035000000003 -1.0873335000000002 ] [ 0.4494527000000001 0.14466420000000002 0.5012788000000001 ] [ 1.0330162000000003 1.1709117000000002 -2.2393110000000003 ] [ 0.7631902000000003 -0.17139280000000004 0.5541314000000002 ] [ -0.4627060000000001 -0.7090049000000002 -1.5798258000000005 ] [ -0.4413660000000001 -1.2687953000000003 2.2119132000000006 ] [ -1.3008245000000003 -0.5475455000000001 -0.9229158000000002 ] [ -0.4010960000000001 -0.03594100000000001 2.5620627000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.773179093910369e-10 2.270450096953853e-09 -1.742100312712637e-09 ] [ 7.201026080954363e-10 2.317775991067354e-10 8.031371738626793e-10 ] [ 1.655074404547657e-09 1.876007350761184e-09 -3.587771730900269e-09 ] [ 1.222765495663677e-09 -2.746015371334504e-10 8.878163739311734e-10 ] [ -7.41336735503885e-10 -1.135951074812642e-09 -2.531159961696657e-09 ] [ -7.071462864160129e-10 -2.032834166240923e-09 3.543875616278916e-09 ] [ -2.08415060166385e-09 -8.772645989242466e-10 -1.478674117726929e-09 ] [ -6.42626633896397e-10 -5.758382992817282e-11 4.104876958963724e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.39109503877592 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.786360588123765e-18 } }