{ "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" [ 5.46879 0 0 ] "si-unit" "m" "si-value" [ 5.468790000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.164352 5.45396 0 ] "si-unit" "m" "si-value" [ -1.64352e-11 5.453960000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.164037 0.0480481 5.25114 ] "si-unit" "m" "si-value" [ -1.64037e-11 4.804810000000001e-12 5.251140000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.110213 -0.12035 -0.0596546 ] [ 1.31419 1.39201 1.41434 ] [ -0.168287 2.6382 2.797 ] [ 1.3034 4.08885 4.02601 ] [ 2.55869 -0.0573607 2.7167 ] [ 3.95328 1.36182 4.12861 ] [ 2.72846 2.73806 0.151815 ] [ 4.07331 4.0714 1.3741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.10213e-11 -1.2035e-11 -5.96546e-12 ] [ 1.31419e-10 1.39201e-10 1.41434e-10 ] [ -1.68287e-11 2.6382e-10 2.797e-10 ] [ 1.3034e-10 4.08885e-10 4.02601e-10 ] [ 2.55869e-10 -5.736070000000001e-12 2.7167e-10 ] [ 3.95328e-10 1.36182e-10 4.12861e-10 ] [ 2.72846e-10 2.73806e-10 1.51815e-11 ] [ 4.07331e-10 4.0714e-10 1.3741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.9457426000000004 0.3197359000000001 1.1435036000000003 ] [ -1.1695556000000003 -0.7915097000000002 -0.4128654000000001 ] [ 1.0536987000000002 0.7309207000000001 -0.5953631000000001 ] [ -2.5480770000000006 -0.7475614000000002 0.7110471000000002 ] [ 2.5470048000000003 0.9804194000000003 -0.9793006000000002 ] [ -1.5944137000000005 0.20946750000000006 -1.2290291000000002 ] [ 0.19603290000000007 -0.7080845000000001 -0.22792420000000005 ] [ -1.4304328000000002 0.0066120999999999975 1.5899316000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.719599924614607e-09 5.122733838104469e-10 1.832094733720635e-09 ] [ -1.873834639045717e-09 -1.268138336476422e-09 -6.614832914172404e-10 ] [ 1.688211422507353e-09 1.171064057198771e-09 -9.538768397070128e-10 ] [ -4.082469397398203e-09 -1.197725397692517e-09 1.13922303990764e-09 ] [ 4.08075154362538e-09 1.570805041258764e-09 -1.569012526055413e-09 ] [ -2.554532354023226e-09 3.356039313174241e-10 -1.969121690302866e-09 ] [ 3.140793292876244e-10 -1.134476431450858e-09 -3.651748245545434e-10 ] [ -2.291805989785483e-09 1.059375203439168e-11 2.547351238191138e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.888875 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.66720204014136e-18 } }