{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.4046556 -12.7358298 -8.4286829 ] [ -10.0706853 10.7151798 5.4527169 ] [ -3.461882 -5.2806357 6.8549936 ] [ -0.1064032 1.5441362 -7.2078462 ] [ 1.8144967 2.367601 2.8911119 ] [ 5.5938824 -2.4324679 -4.2389528 ] [ 3.8259357 5.8220164 4.6766595 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.852682983395796e-09 -2.040504875204794e-08 -1.350423868651674e-08 ] [ -1.613501654309423e-08 1.716761056322842e-08 8.736215537021051e-09 ] [ -5.546546404368345e-09 -8.460511061501843e-09 1.098291048165363e-08 ] [ -1.704767194183065e-10 2.473978918970953e-09 -1.154824266796212e-08 ] [ 2.907144191258752e-09 3.793314969582701e-09 4.632071894296668e-09 ] [ 8.962387600784595e-09 -3.897243200226472e-09 -6.791551072834699e-09 ] [ 6.129824731224083e-09 9.327898561994181e-09 7.492834514342218e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.3769672 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.502355762184844e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6027489 1.3934645 1.4937548 ] [ 1.389063 3.0833515 3.0473548 ] [ 2.4249296 1.6417887 4.8580396 ] [ 2.5515929 3.8418496 0.8283807 ] [ 4.3996039 3.1636167 5.3320308 ] [ 4.4430412 1.6122896 3.2243976 ] [ 3.7984385 4.1691225 3.0480877 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6027489e-10 1.3934645e-10 1.4937548e-10 ] [ 1.389063e-10 3.0833515e-10 3.0473548e-10 ] [ 2.4249296e-10 1.6417887e-10 4.8580396e-10 ] [ 2.5515929e-10 3.8418496e-10 8.283807e-11 ] [ 4.3996039e-10 3.1636167e-10 5.3320308e-10 ] [ 4.4430412e-10 1.6122896e-10 3.2243976e-10 ] [ 3.7984385e-10 4.169122500000001e-10 3.0480877e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.13e-05 -1.17e-05 5.9e-06 ] [ -9.9e-06 1.45e-05 6.3e-06 ] [ 4.2e-06 -1.17e-05 8.7e-06 ] [ -1e-06 1.64e-05 -3.8e-06 ] [ -2.62e-05 -7.5e-06 -1.2e-06 ] [ 3.38e-05 2.5e-06 5.3e-06 ] [ 1.04e-05 -2.5e-06 -2.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.810459581504e-14 -1.874546646336e-14 9.45284206272e-15 ] [ -1.586154854592e-14 2.32315610016e-14 1.009371271104e-14 ] [ 6.72914180736e-15 -1.874546646336e-14 1.393893660096e-14 ] [ -1.6021766208e-15 2.627569658112e-14 -6.08827115904e-15 ] [ -4.197702746496e-14 -1.2016324656e-14 -1.92261194496e-15 ] [ 5.415356978304e-14 4.005441552e-15 8.491536090240001e-15 ] [ 1.666263685632e-14 -4.005441552e-15 -3.380592669888e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.144076 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.746783775241838e-18 } }