{ "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" [ [ -18.8731147 -21.5623506 -7.2338894 ] [ -66.2123661 -0.6912404 50.3872626 ] [ 0.3045449 20.330194 -4.6070274 ] [ 11.131882 -20.4245926 -7.5555459 ] [ 32.7575337 -48.8135819 1.4332917 ] [ 39.5764504 41.5481076 -57.3646663 ] [ 1.3150698 29.6134639 24.9405747 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.02380631340168e-08 -3.454669402081285e-08 -1.158996847413294e-08 ] [ -1.060839049732705e-07 -1.10748920823244e-09 8.072929412383024e-08 ] [ 4.879347187638739e-10 3.257256152312843e-08 -7.38127159166501e-09 ] [ 1.783524108590435e-08 -3.272380475308468e-08 -1.210531899836129e-08 ] [ 5.248335464920813e-08 -7.820797969768605e-08 2.296386452526688e-09 ] [ 6.340846356513081e-08 6.65674066352028e-08 -9.190832720585365e-08 ] [ 2.106974088280132e-09 4.744599952148478e-08 3.995920569365598e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 37.716004 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.042769983879929e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8350418 1.8162439 1.0608535 ] [ 1.4763322 2.932963 3.9559423 ] [ 1.4767041 4.5935237 1.5402561 ] [ 3.5182147 1.3196885 1.9333063 ] [ 4.7003432 1.2560008 4.5352511 ] [ 4.1399422 3.9834713 1.8753509 ] [ 3.9534098 3.9995978 4.6028368 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.350417999999999e-11 1.8162439e-10 1.0608535e-10 ] [ 1.4763322e-10 2.932963e-10 3.9559423e-10 ] [ 1.4767041e-10 4.593523700000001e-10 1.5402561e-10 ] [ 3.5182147e-10 1.3196885e-10 1.9333063e-10 ] [ 4.7003432e-10 1.2560008e-10 4.5352511e-10 ] [ 4.1399422e-10 3.9834713e-10 1.8753509e-10 ] [ 3.9534098e-10 3.9995978e-10 4.6028368e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.8e-06 -2.76e-05 3.26e-05 ] [ 4.26e-05 2.25e-05 1.3e-05 ] [ 1.23e-05 1.89e-05 -3.17e-05 ] [ 1.8e-05 4.14e-05 -2.56e-05 ] [ -2.34e-05 -2.8e-06 2e-05 ] [ -3.99e-05 1.9e-06 1.24e-05 ] [ -1.65e-05 -5.45e-05 -2.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.089480102144e-14 -4.422007473408001e-14 5.223095783807999e-14 ] [ 6.825272404608e-14 3.604897396800001e-14 2.08282960704e-14 ] [ 1.970677243584e-14 3.028113813312e-14 -5.078899887936e-14 ] [ 2.88391791744e-14 6.633011210111999e-14 -4.101572149248001e-14 ] [ -3.749093292672001e-14 -4.48609453824e-15 3.2043532416e-14 ] [ -6.392684716992e-14 3.04413557952e-15 1.986699009792e-14 ] [ -2.64359142432e-14 -8.731862583360001e-14 -3.316505605055999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.711833 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.997966136491393e-18 } }