{ "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" [ [ 3.267171600000001 0.12064500000000003 1.3943019000000003 ] [ -1.1323575000000001 -0.8134488000000002 -0.26437040000000006 ] [ 1.2607941000000003 0.9368745000000003 -0.8527809000000002 ] [ -3.070396600000001 -0.9552517000000003 0.9688973000000002 ] [ 2.8051221000000006 1.3687348000000001 -1.5109948000000004 ] [ -1.6426124000000004 0.5464496000000001 -1.6505755000000004 ] [ -0.0066253000000000015 -0.9950867000000002 -0.21758010000000005 ] [ -1.4810959000000001 -0.20891660000000006 2.1331026000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.234585953661731e-09 1.93294598416416e-10 2.23391790651702e-09 ] [ -1.814236712887536e-09 -1.303288649577815e-09 -4.235680741115445e-10 ] [ 2.020014830662578e-09 1.50103842052369e-09 -1.366305620644783e-09 ] [ -4.919317649103811e-09 -1.530481940719456e-09 1.552344602016244e-09 ] [ 4.494301047109401e-09 2.192954896635364e-09 -2.420880542710373e-09 ] [ -2.631755184316178e-09 8.755087735655118e-10 -2.644513476965271e-09 ] [ -1.061490076578624e-11 -1.594304646409024e-09 -3.486017493713261e-10 ] [ -2.372977224142735e-09 -3.347212922170254e-10 3.417607115487695e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.512571 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.689741100070008e-18 } }