{ "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" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0532232 -1.2409615 -1.5723804 ] [ -1.8280375 -1.8930454 -0.2513598 ] [ -1.1454336 1.1637713 0.46806 ] [ -1.3354451 -1.2465061 0.3027644 ] [ 0.4270103 1.4971635 -1.2059314 ] [ 0.9457054 0.8623315 0.5952671 ] [ 1.8829773 0.8572468 1.6635801 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.687449601426709e-09 -1.988239518993591e-09 -2.519231136639573e-09 ] [ -2.928838968575775e-09 -3.032993106981183e-09 -4.027227982869132e-10 ] [ -1.835186949718502e-09 1.864567184179804e-09 7.499147953100399e-10 ] [ -2.139618935209793e-09 -1.997122947558467e-09 4.850820472870295e-10 ] [ 6.841459251373301e-10 2.398720376977659e-09 -1.932115111286907e-09 ] [ 1.515187094527623e-09 1.381607380062171e-09 9.537230386089415e-10 ] [ 3.016862232412408e-09 1.373460792531271e-09 2.665349165007383e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.127395005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.064546534752584e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9109543 1.978075 0.9710717 ] [ 1.9179458 0.9283852 3.7552159 ] [ 1.9292098 3.055034 2.7939934 ] [ 3.8056862 0.2724112 2.4141665 ] [ 5.1464412 2.1938329 1.8338434 ] [ 4.1444894 1.1346929 4.6430629 ] [ 4.1118643 3.2248435 3.6365092 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9109543e-10 1.978075e-10 9.710717e-11 ] [ 1.9179458e-10 9.283852000000001e-11 3.7552159e-10 ] [ 1.9292098e-10 3.055034e-10 2.7939934e-10 ] [ 3.8056862e-10 2.724112e-11 2.4141665e-10 ] [ 5.1464412e-10 2.1938329e-10 1.8338434e-10 ] [ 4.1444894e-10 1.1346929e-10 4.6430629e-10 ] [ 4.1118643e-10 3.2248435e-10 3.6365092e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.19e-05 3.8e-06 5.54e-05 ] [ -6.27e-05 1.53e-05 3.24e-05 ] [ -6.2e-06 1.93e-05 3.1e-06 ] [ 2.12e-05 -7.15e-05 -5.7e-05 ] [ 4.64e-05 3.88e-05 -3.09e-05 ] [ 1.23e-05 -7.1e-06 3.37e-05 ] [ -3.3e-05 1.3e-06 -3.67e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.50876682846e-14 6.088271209199999e-15 8.876058552359998e-14 ] [ -1.004564749518e-13 2.45133025002e-14 5.19105229416e-14 ] [ -9.9334951308e-15 3.09220090362e-14 4.9667475654e-15 ] [ 3.39661446408e-14 -1.14555629331e-13 -9.132406813799999e-14 ] [ 7.43409958176e-14 6.21644533992e-14 -4.950725799059999e-14 ] [ 1.97067725982e-14 -1.13754541014e-14 5.399335256579999e-14 ] [ -5.287182892199999e-14 2.0828296242e-15 -5.879988246779999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.807805005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333777898506579e-18 } }