{ "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" [ [ 2.0458944 -1.7540151 -1.6744339 ] [ -7.6550157 4.5215132 -2.4400565 ] [ -3.9136135 -3.668489 4.0404064 ] [ -1.3614237 0.3317817 0.4255791 ] [ 4.5616729 -2.2288609 -1.4372296 ] [ 4.0035492 -0.3074891 -1.8989028 ] [ 2.3189364 3.105559 2.9846373 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.277884176305644e-09 -2.810241985750174e-09 -2.682738847654965e-09 ] [ -1.226468718639695e-08 7.244262739678595e-09 -3.909401477731075e-09 ] [ -6.270300052547261e-09 -5.877567309461972e-09 6.473444672610693e-09 ] [ -2.181241223143033e-09 5.315728829492793e-10 6.818528843211053e-10 ] [ 7.308605672116936e-09 -3.571028824995247e-09 -2.302695663841736e-09 ] [ 6.414392928462544e-09 -4.926518471708333e-10 -3.042377671331658e-09 ] [ 3.715345685202118e-09 4.975654024315027e-09 4.781916103627636e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.762032 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.326444227070147e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4221306 2.8130968 1.1276143 ] [ 1.5774866 5.0601669 2.0820419 ] [ 2.0417855 3.1192697 3.6643932 ] [ 4.832074 2.8415349 0.4553656 ] [ 4.5152182 2.9696175 2.9340311 ] [ 4.0103749 5.0799737 1.2135169 ] [ 3.5024992 5.2041195 3.7434011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4221306e-10 2.8130968e-10 1.1276143e-10 ] [ 1.5774866e-10 5.0601669e-10 2.0820419e-10 ] [ 2.0417855e-10 3.1192697e-10 3.664393200000001e-10 ] [ 4.832074e-10 2.8415349e-10 4.553656e-11 ] [ 4.5152182e-10 2.9696175e-10 2.9340311e-10 ] [ 4.0103749e-10 5.0799737e-10 1.2135169e-10 ] [ 3.5024992e-10 5.204119500000001e-10 3.7434011e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.85e-05 -3.57e-05 -3.83e-05 ] [ -1.18e-05 2.26e-05 1.37e-05 ] [ 2.63e-05 1.98e-05 4.16e-05 ] [ 1.79e-05 2.1e-05 2.46e-05 ] [ -1.12e-05 1.1e-06 -2.02e-05 ] [ 3.66e-05 -3.7e-06 -3.25e-05 ] [ -2.92e-05 -2.51e-05 1.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.56620336928e-14 -5.719770536256001e-14 -6.136336457664001e-14 ] [ -1.890568412544e-14 3.620919163008e-14 2.194981970496e-14 ] [ 4.213724512704e-14 3.172309709184e-14 6.665054742528e-14 ] [ 2.867896151232001e-14 3.36457090368e-14 3.941354487168e-14 ] [ -1.794437815296e-14 1.76239428288e-15 -3.236396774016e-14 ] [ 5.863966432128e-14 -5.928053496960001e-15 -5.207074017599999e-14 ] [ -4.678355732736e-14 -4.021463318208e-14 1.778416049088e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.005399 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.84608890507757e-18 } }