{ "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" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.7841937 -3.9422648 -6.5329942 ] [ -7.0401526 6.1294933 -3.830698 ] [ -6.4978922 -6.7733832 7.977167 ] [ -4.1760746 0.2867158 2.4774753 ] [ 6.1004304 -4.607803 -3.3056614 ] [ 3.5321043 0.1730698 -3.3576938 ] [ 4.297391 8.7341721 6.5724051 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.062946724670005e-09 -6.316204547600682e-09 -1.046701065729752e-08 ] [ -1.127956799551435e-08 9.82053094351955e-09 -6.137454827510532e-09 ] [ -1.041077105309085e-08 -1.085215629616815e-08 1.278083057291588e-08 ] [ -6.690809145960895e-09 4.593693553586172e-10 3.96935303697214e-09 ] [ 9.773967044223272e-09 -7.382514300675101e-09 -5.296253454995726e-09 ] [ 5.659054978310925e-09 2.772883896110532e-10 -5.379618550486668e-09 ] [ 6.885179447361893e-09 1.399368645595471e-08 1.053015388040243e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -21.400905 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.428802993745377e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1085833 2.6455211 1.0204296 ] [ 1.7201206 4.96695 1.9316927 ] [ 2.1714138 3.0493753 3.5110567 ] [ 4.5417205 3.0298179 0.791561 ] [ 4.6740979 2.8460507 3.2550929 ] [ 4.0649268 5.4345689 1.123281 ] [ 3.620706 5.115495 3.5872504 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1085833e-10 2.6455211e-10 1.0204296e-10 ] [ 1.7201206e-10 4.96695e-10 1.9316927e-10 ] [ 2.1714138e-10 3.0493753e-10 3.5110567e-10 ] [ 4.5417205e-10 3.0298179e-10 7.91561e-11 ] [ 4.674097899999999e-10 2.8460507e-10 3.2550929e-10 ] [ 4.064926800000001e-10 5.434568900000001e-10 1.123281e-10 ] [ 3.620706000000001e-10 5.115495e-10 3.5872504e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.3e-06 4.5e-05 -7.28e-05 ] [ 7.39e-05 -7.64e-05 0.000132 ] [ -6.25e-05 5.7e-05 2.55e-05 ] [ 3.75e-05 -5.41e-05 9.33e-05 ] [ 6.1e-06 7.84e-05 -9.84e-05 ] [ -2.6e-06 3.6e-06 -4.24e-05 ] [ -5.1e-05 -5.37e-05 -3.72e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.0828296242e-15 7.209794852999999e-14 -1.166384589552e-13 ] [ 1.184008532526e-13 -1.224062948376e-13 2.11487315688e-13 ] [ -1.00136039625e-13 9.132406813799999e-14 4.0855504167e-14 ] [ 6.008162377499999e-14 -8.66777558994e-14 1.494830799522e-13 ] [ 9.773277467399999e-15 1.256106481056e-13 -1.576541807856e-13 ] [ -4.165659248399999e-15 5.767835882399999e-15 -6.79322892816e-14 ] [ -8.171100833399999e-14 -8.603688524579999e-14 -5.96009707848e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.483015 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.082829119687151e-18 } }