{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8164278 0.1663691 0.8726527 ] [ 0.2293415 1.783801 2.502887 ] [ 2.371717 0.4239938 0.3261347 ] [ 1.905698 2.704881 0.8462502 ] [ 2.020767 2.181943 2.752956 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.164278e-11 1.663691e-11 8.726527e-11 ] [ 2.293415e-11 1.783801e-10 2.502887e-10 ] [ 2.371717e-10 4.239938e-11 3.261347e-11 ] [ 1.905698e-10 2.704881e-10 8.462502e-11 ] [ 2.020767e-10 2.181943e-10 2.752956e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -31.0280263 -10.0359328 9.4480327 ] [ -17.2583638 -3.7903252 -0.5447302 ] [ 29.2455729 3.8555901 -11.0100837 ] [ 2.4666394 8.1833028 -10.8433089 ] [ 16.5741779 1.7873651 12.95009 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.971237832742752e-08 -1.607933690007988e-08 1.51374171044939e-08 ] [ -2.765094699362105e-08 -6.072770420669084e-09 -8.727539910837082e-10 ] [ 4.685657316228206e-08 6.177336317607935e-09 -1.764009869719116e-08 ] [ 3.95199197862414e-09 1.311109642708718e-08 -1.737289601169256e-08 ] [ 2.655476034036004e-08 2.863674576053854e-09 2.074833143525587e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 3.6436314 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.837741043892773e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3950294 -0.1405667 0.9958819 ] [ 0.0805501 1.2257291 2.848316 ] [ 2.1934097 0.6942832 -0.214914 ] [ 2.9903911 2.5765442 0.889209 ] [ 1.684571 2.904998 2.7823876 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.950294e-11 -1.405667e-11 9.958819e-11 ] [ 8.055010000000001e-12 1.2257291e-10 2.848316e-10 ] [ 2.1934097e-10 6.942832e-11 -2.14914e-11 ] [ 2.9903911e-10 2.5765442e-10 8.89209e-11 ] [ 1.684571e-10 2.904998e-10 2.7823876e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.6e-06 -6e-07 1.1e-06 ] [ -4e-07 0.0 -1e-06 ] [ 8e-07 7e-07 1.5e-06 ] [ 8e-07 1.9e-06 -1.6e-06 ] [ 4e-07 -2e-06 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.56348259328e-15 -9.6130597248e-16 1.76239428288e-15 ] [ -6.408706483200001e-16 0.0 -1.6021766208e-15 ] [ 1.28174129664e-15 1.12152363456e-15 2.4032649312e-15 ] [ 1.28174129664e-15 3.04413557952e-15 -2.56348259328e-15 ] [ 6.408706483200001e-16 -3.2043532416e-15 0.0 ] ] } "relaxed-potential-energy" { "source-value" -12.435336 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992360461099259e-18 } }