{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.175063 2.090387 1.108777 ] [ 2.290473 2.943113 3.7458 ] [ 1.562387 4.346014 1.227002 ] [ 3.205072 1.346551 2.036178 ] [ 4.414518 1.768723 4.119804 ] [ 3.44377 3.554925 2.238453 ] [ 4.008705 3.851776 5.027783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.175063e-10 2.090387e-10 1.108777e-10 ] [ 2.290473e-10 2.943113e-10 3.7458e-10 ] [ 1.562387e-10 4.346014000000001e-10 1.227002e-10 ] [ 3.205072e-10 1.346551e-10 2.036178e-10 ] [ 4.414518e-10 1.768723e-10 4.119804e-10 ] [ 3.44377e-10 3.554925e-10 2.238453e-10 ] [ 4.008705e-10 3.851776e-10 5.027783000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.6460666 2.8043767 3.9236343 ] [ -13.1648999 -12.7793089 21.409079 ] [ 2.144775 -4.5271245 2.6276662 ] [ -2.5745672 5.3106239 4.6230653 ] [ -6.7842157 5.4127449 -4.7397615 ] [ 17.1004946 7.8447158 -22.5375151 ] [ -2.3676534 -4.0660278 -5.3061682 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.045995905999745e-09 4.493106784656256e-09 6.286355144028973e-09 ] [ -2.109249483495226e-08 -2.047470994956137e-08 3.430112584666024e-08 ] [ 3.43630836187632e-09 -7.25325303335089e-09 4.209985352906377e-09 ] [ -4.124911376518518e-09 8.508557454441719e-09 7.406967140091739e-09 ] [ -1.086951178500431e-08 8.672173333134434e-09 -7.59393506346794e-09 ] [ 2.739801265223665e-08 1.256862025158037e-08 -3.610907978414698e-08 ] [ -3.793398923637631e-09 -6.514494680682858e-09 -8.501418636072419e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.806634 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.25620220019424e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7131842 2.4891504 1.3337429 ] [ 2.0753883 2.4803086 3.5094115 ] [ 1.8575306 4.4044153 2.4534018 ] [ 3.1694917 1.0629909 2.2214069 ] [ 4.2138828 2.096839 3.8896755 ] [ 3.6674653 3.2058315 2.0631014 ] [ 3.4030451 4.1619532 4.033057 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7131842e-10 2.4891504e-10 1.3337429e-10 ] [ 2.0753883e-10 2.4803086e-10 3.5094115e-10 ] [ 1.8575306e-10 4.4044153e-10 2.4534018e-10 ] [ 3.1694917e-10 1.0629909e-10 2.2214069e-10 ] [ 4.213882800000001e-10 2.096839e-10 3.8896755e-10 ] [ 3.6674653e-10 3.2058315e-10 2.0631014e-10 ] [ 3.4030451e-10 4.1619532e-10 4.033057000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.32e-05 2.39e-05 -2.28e-05 ] [ 5.14e-05 -1.78e-05 1.77e-05 ] [ -3.71e-05 4.07e-05 2.03e-05 ] [ 1.41e-05 -1.02e-05 4.15e-05 ] [ -5.41e-05 1.7e-05 -5.82e-05 ] [ 2.7e-06 -2.03e-05 7.17e-05 ] [ -2e-07 -3.34e-05 -7.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.717049760256e-14 3.829202123712e-14 -3.652962695424e-14 ] [ 8.235187830912e-14 -2.851874385024e-14 2.835852618816e-14 ] [ -5.944075263168e-14 6.520858846656e-14 3.252418540224e-14 ] [ 2.259069035328e-14 -1.634220153216e-14 6.64903297632e-14 ] [ -8.667775518528e-14 2.72370025536e-14 -9.324667933055999e-14 ] [ 4.32587687616e-15 -3.252418540224e-14 1.1487606371136e-13 ] [ -3.2043532416e-16 -5.351269913472e-14 -1.1231258111808e-13 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }