{ "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" [ [ 3.641747900000001 -0.7031262000000001 0.9350825000000003 ] [ -1.0085806000000002 -0.4752226000000001 0.04990620000000001 ] [ 1.3164891000000003 1.2203636000000002 -0.9457015000000002 ] [ -3.677494400000001 -1.2885040000000003 1.3279608000000003 ] [ 3.629798500000001 1.6209248000000005 -1.6795417000000004 ] [ -2.3085781000000005 0.8194028000000002 -1.8139305000000003 ] [ 0.09281960000000002 -1.1023396000000003 -0.31202510000000006 ] [ -1.6862020000000004 -0.09149870000000002 2.4382493000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.834723344227498e-09 -1.126532359111945e-09 1.498167320019217e-09 ] [ -1.615924257512437e-09 -7.613905393957903e-10 7.995854687296899e-11 ] [ 2.109248057558034e-09 1.955238028795323e-09 -1.515180833555491e-09 ] [ -5.891995550802925e-09 -2.064410984607284e-09 2.127627747098865e-09 ] [ 5.815578294914911e-09 2.597007818634917e-09 -2.690922445398688e-09 ] [ -3.698749859110886e-09 1.312828009178059e-09 -2.906237038856055e-09 ] [ 1.487133930720077e-10 -1.766142735302024e-09 -4.999193203227821e-10 ] [ -2.701593422346202e-09 -1.46597077973593e-10 3.906506024141966e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.746443 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.566993863055981e-18 } }