{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7770075 -2.3146099 -2.6913542 ] [ 0.2460099 -0.3642689 1.2461427 ] [ -0.9136787 -0.6832235 -1.5918099 ] [ -4.0825853 -4.3814221 5.8493516 ] [ 1.6901093 7.9154832 -3.5561298 ] [ -0.4985993 0.7563774 -1.0493332 ] [ 5.3357515 -0.9283362 1.7931328 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.847079871486256e-09 -3.708413868052226e-09 -4.312024777531887e-09 ] [ 3.941513102653459e-10 -5.836231152645331e-10 1.996540700120588e-09 ] [ -1.463874652062937e-09 -1.094644718481149e-09 -2.550360606537986e-09 ] [ -6.541022720081754e-09 -7.01981205447644e-09 9.371694380359074e-09 ] [ 2.707853607056654e-09 1.268200212537517e-08 -5.69754802609018e-09 ] [ -7.988441416072455e-10 1.21185018678149e-09 -1.681217120469251e-09 ] [ 8.54881630769853e-09 -1.487358555882313e-09 2.872915450149642e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.800013 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.691658805773607e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8080329 0.9850814 2.7170223 ] [ 2.5756751 2.6567176 0.6328275 ] [ 1.1007881 2.7178455 2.4617659 ] [ 2.3143414 2.3579459 4.7238149 ] [ 2.559088 4.320062 3.4925814 ] [ 4.2704689 3.152201 2.2013602 ] [ 4.5405587 1.7382796 4.1483813 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8080329e-10 9.850814e-11 2.7170223e-10 ] [ 2.5756751e-10 2.6567176e-10 6.328275e-11 ] [ 1.1007881e-10 2.7178455e-10 2.4617659e-10 ] [ 2.3143414e-10 2.3579459e-10 4.7238149e-10 ] [ 2.559088e-10 4.320062e-10 3.4925814e-10 ] [ 4.2704689e-10 3.152201e-10 2.2013602e-10 ] [ 4.5405587e-10 1.7382796e-10 4.1483813e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.605145 0.0304794 -0.3321776 ] [ 0.130566 -0.3319606 0.15145 ] [ -0.0622965 0.0828357 -0.0729044 ] [ -0.0610362 -0.4018014 0.4953874 ] [ 0.2706791 0.0127395 -0.5949143 ] [ -0.086194 0.4811274 0.5081208 ] [ 0.4134265 0.12658 -0.1549619 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.69549171194016e-10 4.883338209601152e-11 -5.322071846734542e-10 ] [ 2.091897926713728e-10 -5.318595123467405e-10 2.4264964922016e-10 ] [ -9.98099958576672e-11 1.327174219076026e-10 -1.168057252334515e-10 ] [ -9.779077266247296e-11 -6.437568092847091e-10 7.936981105188979e-10 ] [ 4.336757257591853e-10 2.04109290606816e-11 -9.531577828395976e-10 ] [ -1.380980116532352e-10 7.708510719062899e-10 8.140992663021927e-10 ] [ 6.623822727191711e-10 2.02803516660864e-10 -2.482763332947475e-10 ] ] } "relaxed-potential-energy" { "source-value" -21.376713 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.424926979815143e-18 } }